USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 LYS NZ :NH3+ -171:sc= 1.13 (180deg=-0.148) USER MOD Set 1.2: B 75 SER OG : rot 133:sc= -0.507 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -173:sc= 1.11 (180deg=-0.129) USER MOD Set 2.2: A 75 SER OG : rot 130:sc= -0.536 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0.321) USER MOD Single : A 48 MET CE :methyl -122:sc= -3.18! (180deg=-3.95!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -52:sc= 0.0102 USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= 0.021 (180deg=-2.42!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.95 K(o=0.95,f=-0.33) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -116:sc= -0.696 (180deg=-1.2) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0692 F(o=-0.67,f=-0.069) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.38 F(o=-2.7,f=-1.4) USER MOD Single : B 45 LYS NZ :NH3+ 135:sc= 1.24 (180deg=0.236) USER MOD Single : B 48 MET CE :methyl -119:sc= -2.85! (180deg=-3.61!) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.163 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot -49:sc= 0.018 USER MOD Single : B 74 LYS NZ :NH3+ 149:sc= 0.0101 (180deg=-2.42!) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 0.954 K(o=0.95,f=-0.32) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -123:sc= -0.494 (180deg=-0.998) USER MOD Single : B 93 ASN :FLIP amide:sc= -0.115 F(o=-1.6!,f=-0.11) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.43 F(o=-2.8,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -1.792 -18.233 -8.044 1.00 0.49 N ATOM 358 CA PRO A 43 -1.298 -17.555 -6.830 1.00 0.46 C ATOM 359 C PRO A 43 -2.191 -16.361 -6.471 1.00 0.40 C ATOM 360 O PRO A 43 -2.664 -16.242 -5.357 1.00 0.48 O ATOM 361 CB PRO A 43 0.089 -17.080 -7.246 1.00 0.47 C ATOM 362 CG PRO A 43 0.045 -16.943 -8.739 1.00 0.48 C ATOM 363 CD PRO A 43 -1.165 -17.689 -9.251 1.00 0.53 C ATOM 0 HA PRO A 43 -1.291 -18.199 -5.951 1.00 0.46 H new ATOM 0 HB2 PRO A 43 0.334 -16.129 -6.773 1.00 0.47 H new ATOM 0 HB3 PRO A 43 0.854 -17.794 -6.941 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -0.010 -15.892 -9.022 1.00 0.48 H new ATOM 0 HG3 PRO A 43 0.955 -17.346 -9.184 1.00 0.48 H new ATOM 0 HD2 PRO A 43 -1.844 -17.026 -9.787 1.00 0.53 H new ATOM 0 HD3 PRO A 43 -0.880 -18.481 -9.943 1.00 0.53 H new ATOM 371 N LEU A 44 -2.407 -15.470 -7.409 1.00 0.35 N ATOM 372 CA LEU A 44 -3.251 -14.263 -7.145 1.00 0.35 C ATOM 373 C LEU A 44 -2.690 -13.468 -5.961 1.00 0.30 C ATOM 374 O LEU A 44 -3.375 -12.664 -5.359 1.00 0.44 O ATOM 375 CB LEU A 44 -4.650 -14.791 -6.828 1.00 0.48 C ATOM 376 CG LEU A 44 -5.657 -13.645 -6.948 1.00 0.61 C ATOM 377 CD1 LEU A 44 -5.836 -13.266 -8.420 1.00 0.85 C ATOM 378 CD2 LEU A 44 -6.999 -14.085 -6.365 1.00 0.76 C ATOM 0 H LEU A 44 -2.031 -15.529 -8.355 1.00 0.35 H new ATOM 0 HA LEU A 44 -3.267 -13.588 -8.001 1.00 0.35 H new ATOM 0 HB2 LEU A 44 -4.913 -15.596 -7.515 1.00 0.48 H new ATOM 0 HB3 LEU A 44 -4.675 -15.210 -5.822 1.00 0.48 H new ATOM 0 HG LEU A 44 -5.287 -12.780 -6.398 1.00 0.61 H new ATOM 0 HD11 LEU A 44 -6.554 -12.450 -8.501 1.00 0.85 H new ATOM 0 HD12 LEU A 44 -4.878 -12.949 -8.833 1.00 0.85 H new ATOM 0 HD13 LEU A 44 -6.204 -14.129 -8.976 1.00 0.85 H new ATOM 0 HD21 LEU A 44 -7.717 -13.270 -6.450 1.00 0.76 H new ATOM 0 HD22 LEU A 44 -7.367 -14.952 -6.914 1.00 0.76 H new ATOM 0 HD23 LEU A 44 -6.871 -14.348 -5.315 1.00 0.76 H new ATOM 390 N LYS A 45 -1.440 -13.674 -5.641 1.00 0.29 N ATOM 391 CA LYS A 45 -0.818 -12.916 -4.514 1.00 0.26 C ATOM 392 C LYS A 45 -0.112 -11.681 -5.074 1.00 0.24 C ATOM 393 O LYS A 45 0.001 -10.673 -4.413 1.00 0.27 O ATOM 394 CB LYS A 45 0.183 -13.874 -3.850 1.00 0.30 C ATOM 395 CG LYS A 45 1.053 -14.561 -4.907 1.00 0.39 C ATOM 396 CD LYS A 45 2.348 -15.060 -4.260 1.00 0.45 C ATOM 397 CE LYS A 45 2.017 -16.123 -3.207 1.00 0.41 C ATOM 398 NZ LYS A 45 3.227 -16.989 -3.138 1.00 0.33 N ATOM 0 H LYS A 45 -0.822 -14.335 -6.111 1.00 0.29 H new ATOM 0 HA LYS A 45 -1.554 -12.575 -3.786 1.00 0.26 H new ATOM 0 HB2 LYS A 45 0.815 -13.323 -3.153 1.00 0.30 H new ATOM 0 HB3 LYS A 45 -0.354 -14.624 -3.269 1.00 0.30 H new ATOM 0 HG2 LYS A 45 0.511 -15.396 -5.352 1.00 0.39 H new ATOM 0 HG3 LYS A 45 1.282 -13.864 -5.713 1.00 0.39 H new ATOM 0 HD2 LYS A 45 3.009 -15.478 -5.019 1.00 0.45 H new ATOM 0 HD3 LYS A 45 2.880 -14.228 -3.798 1.00 0.45 H new ATOM 0 HE2 LYS A 45 1.802 -15.667 -2.240 1.00 0.41 H new ATOM 0 HE3 LYS A 45 1.136 -16.698 -3.491 1.00 0.41 H new ATOM 0 HZ1 LYS A 45 3.256 -17.473 -2.218 1.00 0.33 H new ATOM 0 HZ2 LYS A 45 3.192 -17.696 -3.900 1.00 0.33 H new ATOM 0 HZ3 LYS A 45 4.080 -16.404 -3.248 1.00 0.33 H new ATOM 412 N LEU A 46 0.347 -11.767 -6.299 1.00 0.24 N ATOM 413 CA LEU A 46 1.043 -10.615 -6.964 1.00 0.26 C ATOM 414 C LEU A 46 0.379 -9.275 -6.602 1.00 0.25 C ATOM 415 O LEU A 46 1.047 -8.281 -6.366 1.00 0.28 O ATOM 416 CB LEU A 46 0.870 -10.888 -8.467 1.00 0.30 C ATOM 417 CG LEU A 46 2.230 -10.912 -9.174 1.00 0.37 C ATOM 418 CD1 LEU A 46 2.979 -9.599 -8.924 1.00 0.45 C ATOM 419 CD2 LEU A 46 3.054 -12.090 -8.650 1.00 0.44 C ATOM 0 H LEU A 46 0.268 -12.602 -6.879 1.00 0.24 H new ATOM 0 HA LEU A 46 2.085 -10.538 -6.654 1.00 0.26 H new ATOM 0 HB2 LEU A 46 0.362 -11.842 -8.612 1.00 0.30 H new ATOM 0 HB3 LEU A 46 0.237 -10.119 -8.911 1.00 0.30 H new ATOM 0 HG LEU A 46 2.074 -11.026 -10.247 1.00 0.37 H new ATOM 0 HD11 LEU A 46 3.943 -9.628 -9.431 1.00 0.45 H new ATOM 0 HD12 LEU A 46 2.391 -8.766 -9.309 1.00 0.45 H new ATOM 0 HD13 LEU A 46 3.136 -9.468 -7.853 1.00 0.45 H new ATOM 0 HD21 LEU A 46 4.022 -12.109 -9.152 1.00 0.44 H new ATOM 0 HD22 LEU A 46 3.204 -11.980 -7.576 1.00 0.44 H new ATOM 0 HD23 LEU A 46 2.524 -13.022 -8.849 1.00 0.44 H new ATOM 431 N PHE A 47 -0.931 -9.248 -6.559 1.00 0.25 N ATOM 432 CA PHE A 47 -1.656 -7.987 -6.226 1.00 0.26 C ATOM 433 C PHE A 47 -1.526 -7.686 -4.733 1.00 0.25 C ATOM 434 O PHE A 47 -1.066 -6.629 -4.344 1.00 0.28 O ATOM 435 CB PHE A 47 -3.118 -8.266 -6.619 1.00 0.29 C ATOM 436 CG PHE A 47 -4.058 -7.303 -5.920 1.00 0.29 C ATOM 437 CD1 PHE A 47 -3.686 -5.965 -5.722 1.00 0.35 C ATOM 438 CD2 PHE A 47 -5.305 -7.754 -5.470 1.00 0.32 C ATOM 439 CE1 PHE A 47 -4.560 -5.084 -5.075 1.00 0.41 C ATOM 440 CE2 PHE A 47 -6.178 -6.871 -4.823 1.00 0.38 C ATOM 441 CZ PHE A 47 -5.806 -5.537 -4.625 1.00 0.41 C ATOM 0 H PHE A 47 -1.531 -10.052 -6.742 1.00 0.25 H new ATOM 0 HA PHE A 47 -1.259 -7.117 -6.749 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -3.233 -8.173 -7.699 1.00 0.29 H new ATOM 0 HB3 PHE A 47 -3.380 -9.291 -6.357 1.00 0.29 H new ATOM 0 HD1 PHE A 47 -2.725 -5.615 -6.069 1.00 0.35 H new ATOM 0 HD2 PHE A 47 -5.594 -8.784 -5.622 1.00 0.32 H new ATOM 0 HE1 PHE A 47 -4.273 -4.054 -4.923 1.00 0.41 H new ATOM 0 HE2 PHE A 47 -7.139 -7.220 -4.476 1.00 0.38 H new ATOM 0 HZ PHE A 47 -6.480 -4.857 -4.125 1.00 0.41 H new ATOM 451 N MET A 48 -1.932 -8.605 -3.899 1.00 0.26 N ATOM 452 CA MET A 48 -1.837 -8.376 -2.428 1.00 0.27 C ATOM 453 C MET A 48 -0.389 -8.104 -2.029 1.00 0.26 C ATOM 454 O MET A 48 -0.111 -7.201 -1.271 1.00 0.30 O ATOM 455 CB MET A 48 -2.337 -9.671 -1.784 1.00 0.32 C ATOM 456 CG MET A 48 -3.599 -9.377 -0.971 1.00 0.44 C ATOM 457 SD MET A 48 -4.956 -10.423 -1.547 1.00 0.46 S ATOM 458 CE MET A 48 -5.249 -9.548 -3.101 1.00 0.43 C ATOM 0 H MET A 48 -2.326 -9.505 -4.173 1.00 0.26 H new ATOM 0 HA MET A 48 -2.423 -7.514 -2.109 1.00 0.27 H new ATOM 0 HB2 MET A 48 -2.551 -10.414 -2.552 1.00 0.32 H new ATOM 0 HB3 MET A 48 -1.565 -10.092 -1.140 1.00 0.32 H new ATOM 0 HG2 MET A 48 -3.411 -9.559 0.087 1.00 0.44 H new ATOM 0 HG3 MET A 48 -3.870 -8.326 -1.071 1.00 0.44 H new ATOM 0 HE1 MET A 48 -6.281 -9.199 -3.133 1.00 0.43 H new ATOM 0 HE2 MET A 48 -4.575 -8.694 -3.171 1.00 0.43 H new ATOM 0 HE3 MET A 48 -5.068 -10.222 -3.938 1.00 0.43 H new ATOM 468 N ALA A 49 0.528 -8.882 -2.538 1.00 0.26 N ATOM 469 CA ALA A 49 1.970 -8.689 -2.201 1.00 0.27 C ATOM 470 C ALA A 49 2.415 -7.261 -2.533 1.00 0.27 C ATOM 471 O ALA A 49 3.025 -6.592 -1.721 1.00 0.31 O ATOM 472 CB ALA A 49 2.715 -9.699 -3.073 1.00 0.33 C ATOM 0 H ALA A 49 0.338 -9.652 -3.180 1.00 0.26 H new ATOM 0 HA ALA A 49 2.167 -8.838 -1.139 1.00 0.27 H new ATOM 0 HB1 ALA A 49 3.786 -9.622 -2.885 1.00 0.33 H new ATOM 0 HB2 ALA A 49 2.376 -10.707 -2.833 1.00 0.33 H new ATOM 0 HB3 ALA A 49 2.515 -9.490 -4.124 1.00 0.33 H new ATOM 478 N LEU A 50 2.119 -6.792 -3.721 1.00 0.27 N ATOM 479 CA LEU A 50 2.534 -5.406 -4.101 1.00 0.30 C ATOM 480 C LEU A 50 1.918 -4.377 -3.146 1.00 0.27 C ATOM 481 O LEU A 50 2.623 -3.631 -2.487 1.00 0.32 O ATOM 482 CB LEU A 50 2.009 -5.203 -5.521 1.00 0.35 C ATOM 483 CG LEU A 50 2.935 -4.246 -6.273 1.00 0.60 C ATOM 484 CD1 LEU A 50 4.318 -4.884 -6.426 1.00 1.02 C ATOM 485 CD2 LEU A 50 2.353 -3.955 -7.657 1.00 0.79 C ATOM 0 H LEU A 50 1.611 -7.306 -4.440 1.00 0.27 H new ATOM 0 HA LEU A 50 3.615 -5.277 -4.045 1.00 0.30 H new ATOM 0 HB2 LEU A 50 1.956 -6.159 -6.041 1.00 0.35 H new ATOM 0 HB3 LEU A 50 0.997 -4.800 -5.492 1.00 0.35 H new ATOM 0 HG LEU A 50 3.025 -3.315 -5.713 1.00 0.60 H new ATOM 0 HD11 LEU A 50 4.977 -4.201 -6.962 1.00 1.02 H new ATOM 0 HD12 LEU A 50 4.734 -5.091 -5.440 1.00 1.02 H new ATOM 0 HD13 LEU A 50 4.229 -5.816 -6.985 1.00 1.02 H new ATOM 0 HD21 LEU A 50 3.013 -3.273 -8.193 1.00 0.79 H new ATOM 0 HD22 LEU A 50 2.262 -4.886 -8.216 1.00 0.79 H new ATOM 0 HD23 LEU A 50 1.369 -3.498 -7.549 1.00 0.79 H new ATOM 497 N VAL A 51 0.610 -4.328 -3.066 1.00 0.25 N ATOM 498 CA VAL A 51 -0.049 -3.348 -2.159 1.00 0.25 C ATOM 499 C VAL A 51 0.405 -3.583 -0.712 1.00 0.26 C ATOM 500 O VAL A 51 0.594 -2.648 0.039 1.00 0.32 O ATOM 501 CB VAL A 51 -1.551 -3.602 -2.331 1.00 0.27 C ATOM 502 CG1 VAL A 51 -2.334 -2.783 -1.312 1.00 0.33 C ATOM 503 CG2 VAL A 51 -1.975 -3.190 -3.745 1.00 0.39 C ATOM 0 H VAL A 51 -0.027 -4.927 -3.592 1.00 0.25 H new ATOM 0 HA VAL A 51 0.206 -2.315 -2.393 1.00 0.25 H new ATOM 0 HB VAL A 51 -1.757 -4.661 -2.177 1.00 0.27 H new ATOM 0 HG11 VAL A 51 -3.401 -2.968 -1.439 1.00 0.33 H new ATOM 0 HG12 VAL A 51 -2.033 -3.072 -0.305 1.00 0.33 H new ATOM 0 HG13 VAL A 51 -2.129 -1.723 -1.462 1.00 0.33 H new ATOM 0 HG21 VAL A 51 -3.043 -3.369 -3.871 1.00 0.39 H new ATOM 0 HG22 VAL A 51 -1.765 -2.131 -3.894 1.00 0.39 H new ATOM 0 HG23 VAL A 51 -1.420 -3.777 -4.477 1.00 0.39 H new ATOM 513 N ALA A 52 0.597 -4.822 -0.321 1.00 0.25 N ATOM 514 CA ALA A 52 1.056 -5.108 1.076 1.00 0.27 C ATOM 515 C ALA A 52 2.418 -4.458 1.311 1.00 0.26 C ATOM 516 O ALA A 52 2.630 -3.788 2.304 1.00 0.29 O ATOM 517 CB ALA A 52 1.172 -6.630 1.171 1.00 0.33 C ATOM 0 H ALA A 52 0.456 -5.645 -0.907 1.00 0.25 H new ATOM 0 HA ALA A 52 0.367 -4.713 1.823 1.00 0.27 H new ATOM 0 HB1 ALA A 52 1.505 -6.908 2.171 1.00 0.33 H new ATOM 0 HB2 ALA A 52 0.200 -7.082 0.973 1.00 0.33 H new ATOM 0 HB3 ALA A 52 1.894 -6.986 0.436 1.00 0.33 H new ATOM 523 N PHE A 53 3.335 -4.644 0.391 1.00 0.28 N ATOM 524 CA PHE A 53 4.690 -4.026 0.533 1.00 0.30 C ATOM 525 C PHE A 53 4.527 -2.524 0.780 1.00 0.28 C ATOM 526 O PHE A 53 4.952 -1.994 1.794 1.00 0.30 O ATOM 527 CB PHE A 53 5.382 -4.292 -0.808 1.00 0.35 C ATOM 528 CG PHE A 53 6.722 -3.596 -0.848 1.00 0.34 C ATOM 529 CD1 PHE A 53 7.648 -3.793 0.184 1.00 0.43 C ATOM 530 CD2 PHE A 53 7.038 -2.755 -1.921 1.00 0.51 C ATOM 531 CE1 PHE A 53 8.889 -3.147 0.142 1.00 0.50 C ATOM 532 CE2 PHE A 53 8.279 -2.109 -1.963 1.00 0.57 C ATOM 533 CZ PHE A 53 9.204 -2.305 -0.931 1.00 0.50 C ATOM 0 H PHE A 53 3.202 -5.199 -0.454 1.00 0.28 H new ATOM 0 HA PHE A 53 5.266 -4.432 1.365 1.00 0.30 H new ATOM 0 HB2 PHE A 53 5.516 -5.364 -0.950 1.00 0.35 H new ATOM 0 HB3 PHE A 53 4.755 -3.938 -1.626 1.00 0.35 H new ATOM 0 HD1 PHE A 53 7.405 -4.443 1.012 1.00 0.43 H new ATOM 0 HD2 PHE A 53 6.324 -2.604 -2.717 1.00 0.51 H new ATOM 0 HE1 PHE A 53 9.604 -3.298 0.938 1.00 0.50 H new ATOM 0 HE2 PHE A 53 8.523 -1.460 -2.791 1.00 0.57 H new ATOM 0 HZ PHE A 53 10.161 -1.806 -0.963 1.00 0.50 H new ATOM 543 N LEU A 54 3.878 -1.843 -0.128 1.00 0.29 N ATOM 544 CA LEU A 54 3.651 -0.384 0.063 1.00 0.29 C ATOM 545 C LEU A 54 2.891 -0.168 1.377 1.00 0.28 C ATOM 546 O LEU A 54 3.138 0.778 2.098 1.00 0.32 O ATOM 547 CB LEU A 54 2.810 0.050 -1.141 1.00 0.32 C ATOM 548 CG LEU A 54 3.725 0.391 -2.323 1.00 0.36 C ATOM 549 CD1 LEU A 54 4.638 1.561 -1.949 1.00 0.48 C ATOM 550 CD2 LEU A 54 4.582 -0.827 -2.680 1.00 0.47 C ATOM 0 H LEU A 54 3.497 -2.234 -0.990 1.00 0.29 H new ATOM 0 HA LEU A 54 4.575 0.191 0.123 1.00 0.29 H new ATOM 0 HB2 LEU A 54 2.122 -0.748 -1.421 1.00 0.32 H new ATOM 0 HB3 LEU A 54 2.203 0.917 -0.878 1.00 0.32 H new ATOM 0 HG LEU A 54 3.112 0.669 -3.180 1.00 0.36 H new ATOM 0 HD11 LEU A 54 5.287 1.800 -2.792 1.00 0.48 H new ATOM 0 HD12 LEU A 54 4.031 2.431 -1.700 1.00 0.48 H new ATOM 0 HD13 LEU A 54 5.248 1.286 -1.088 1.00 0.48 H new ATOM 0 HD21 LEU A 54 5.231 -0.581 -3.520 1.00 0.47 H new ATOM 0 HD22 LEU A 54 5.191 -1.108 -1.821 1.00 0.47 H new ATOM 0 HD23 LEU A 54 3.934 -1.660 -2.953 1.00 0.47 H new ATOM 562 N ARG A 55 1.986 -1.063 1.698 1.00 0.27 N ATOM 563 CA ARG A 55 1.214 -0.941 2.973 1.00 0.28 C ATOM 564 C ARG A 55 2.127 -1.207 4.173 1.00 0.28 C ATOM 565 O ARG A 55 1.773 -0.938 5.305 1.00 0.34 O ATOM 566 CB ARG A 55 0.115 -2.003 2.886 1.00 0.30 C ATOM 567 CG ARG A 55 -0.915 -1.769 3.995 1.00 0.33 C ATOM 568 CD ARG A 55 -0.653 -2.735 5.154 1.00 0.37 C ATOM 569 NE ARG A 55 -1.328 -2.116 6.328 1.00 0.36 N ATOM 570 CZ ARG A 55 -0.703 -2.030 7.471 1.00 0.33 C ATOM 571 NH1 ARG A 55 0.377 -1.304 7.570 1.00 0.31 N ATOM 572 NH2 ARG A 55 -1.159 -2.668 8.514 1.00 0.42 N ATOM 0 H ARG A 55 1.749 -1.875 1.128 1.00 0.27 H new ATOM 0 HA ARG A 55 0.799 0.058 3.105 1.00 0.28 H new ATOM 0 HB2 ARG A 55 -0.370 -1.960 1.911 1.00 0.30 H new ATOM 0 HB3 ARG A 55 0.549 -2.998 2.983 1.00 0.30 H new ATOM 0 HG2 ARG A 55 -0.857 -0.739 4.347 1.00 0.33 H new ATOM 0 HG3 ARG A 55 -1.922 -1.917 3.606 1.00 0.33 H new ATOM 0 HD2 ARG A 55 -1.057 -3.725 4.942 1.00 0.37 H new ATOM 0 HD3 ARG A 55 0.415 -2.858 5.332 1.00 0.37 H new ATOM 0 HE ARG A 55 -2.279 -1.759 6.239 1.00 0.36 H new ATOM 0 HH11 ARG A 55 0.732 -0.804 6.755 1.00 0.31 H new ATOM 0 HH12 ARG A 55 0.866 -1.236 8.463 1.00 0.31 H new ATOM 0 HH21 ARG A 55 -2.004 -3.234 8.436 1.00 0.42 H new ATOM 0 HH22 ARG A 55 -0.670 -2.601 9.407 1.00 0.42 H new ATOM 586 N PHE A 56 3.304 -1.725 3.938 1.00 0.28 N ATOM 587 CA PHE A 56 4.237 -1.992 5.067 1.00 0.30 C ATOM 588 C PHE A 56 5.204 -0.819 5.232 1.00 0.32 C ATOM 589 O PHE A 56 5.808 -0.648 6.274 1.00 0.37 O ATOM 590 CB PHE A 56 5.011 -3.253 4.671 1.00 0.31 C ATOM 591 CG PHE A 56 4.108 -4.477 4.663 1.00 0.32 C ATOM 592 CD1 PHE A 56 2.762 -4.399 5.069 1.00 0.36 C ATOM 593 CD2 PHE A 56 4.635 -5.705 4.244 1.00 0.43 C ATOM 594 CE1 PHE A 56 1.959 -5.545 5.052 1.00 0.40 C ATOM 595 CE2 PHE A 56 3.829 -6.849 4.228 1.00 0.50 C ATOM 596 CZ PHE A 56 2.492 -6.769 4.632 1.00 0.45 C ATOM 0 H PHE A 56 3.657 -1.974 3.014 1.00 0.28 H new ATOM 0 HA PHE A 56 3.707 -2.120 6.011 1.00 0.30 H new ATOM 0 HB2 PHE A 56 5.451 -3.117 3.683 1.00 0.31 H new ATOM 0 HB3 PHE A 56 5.834 -3.411 5.368 1.00 0.31 H new ATOM 0 HD1 PHE A 56 2.349 -3.455 5.393 1.00 0.36 H new ATOM 0 HD2 PHE A 56 5.667 -5.769 3.932 1.00 0.43 H new ATOM 0 HE1 PHE A 56 0.927 -5.485 5.363 1.00 0.40 H new ATOM 0 HE2 PHE A 56 4.239 -7.794 3.904 1.00 0.50 H new ATOM 0 HZ PHE A 56 1.871 -7.652 4.620 1.00 0.45 H new ATOM 606 N LEU A 57 5.379 -0.025 4.201 1.00 0.31 N ATOM 607 CA LEU A 57 6.338 1.120 4.296 1.00 0.35 C ATOM 608 C LEU A 57 5.619 2.472 4.421 1.00 0.37 C ATOM 609 O LEU A 57 6.064 3.340 5.150 1.00 0.45 O ATOM 610 CB LEU A 57 7.150 1.067 2.998 1.00 0.43 C ATOM 611 CG LEU A 57 7.579 -0.378 2.708 1.00 0.43 C ATOM 612 CD1 LEU A 57 8.451 -0.414 1.449 1.00 0.56 C ATOM 613 CD2 LEU A 57 8.367 -0.939 3.898 1.00 0.51 C ATOM 0 H LEU A 57 4.902 -0.120 3.304 1.00 0.31 H new ATOM 0 HA LEU A 57 6.960 1.034 5.187 1.00 0.35 H new ATOM 0 HB2 LEU A 57 6.554 1.452 2.170 1.00 0.43 H new ATOM 0 HB3 LEU A 57 8.029 1.706 3.082 1.00 0.43 H new ATOM 0 HG LEU A 57 6.690 -0.989 2.550 1.00 0.43 H new ATOM 0 HD11 LEU A 57 8.754 -1.441 1.246 1.00 0.56 H new ATOM 0 HD12 LEU A 57 7.883 -0.029 0.602 1.00 0.56 H new ATOM 0 HD13 LEU A 57 9.337 0.202 1.602 1.00 0.56 H new ATOM 0 HD21 LEU A 57 8.668 -1.965 3.684 1.00 0.51 H new ATOM 0 HD22 LEU A 57 9.254 -0.329 4.067 1.00 0.51 H new ATOM 0 HD23 LEU A 57 7.740 -0.923 4.790 1.00 0.51 H new ATOM 625 N THR A 58 4.536 2.680 3.708 1.00 0.37 N ATOM 626 CA THR A 58 3.839 4.006 3.794 1.00 0.42 C ATOM 627 C THR A 58 2.312 3.877 3.650 1.00 0.39 C ATOM 628 O THR A 58 1.591 4.836 3.852 1.00 0.45 O ATOM 629 CB THR A 58 4.415 4.810 2.630 1.00 0.49 C ATOM 630 OG1 THR A 58 5.828 4.888 2.764 1.00 0.95 O ATOM 631 CG2 THR A 58 3.821 6.215 2.636 1.00 0.84 C ATOM 0 H THR A 58 4.109 2.000 3.079 1.00 0.37 H new ATOM 0 HA THR A 58 3.999 4.475 4.765 1.00 0.42 H new ATOM 0 HB THR A 58 4.166 4.318 1.689 1.00 0.49 H new ATOM 0 HG1 THR A 58 6.200 5.402 2.017 1.00 0.95 H new ATOM 0 HG21 THR A 58 4.233 6.788 1.805 1.00 0.84 H new ATOM 0 HG22 THR A 58 2.738 6.153 2.532 1.00 0.84 H new ATOM 0 HG23 THR A 58 4.067 6.710 3.575 1.00 0.84 H new ATOM 639 N ILE A 59 1.818 2.715 3.305 1.00 0.34 N ATOM 640 CA ILE A 59 0.340 2.522 3.147 1.00 0.32 C ATOM 641 C ILE A 59 -0.269 3.566 2.190 1.00 0.34 C ATOM 642 O ILE A 59 -1.152 4.312 2.568 1.00 0.37 O ATOM 643 CB ILE A 59 -0.240 2.667 4.559 1.00 0.34 C ATOM 644 CG1 ILE A 59 0.331 1.570 5.460 1.00 0.35 C ATOM 645 CG2 ILE A 59 -1.767 2.529 4.505 1.00 0.37 C ATOM 646 CD1 ILE A 59 1.705 1.992 5.985 1.00 0.37 C ATOM 0 H ILE A 59 2.379 1.883 3.124 1.00 0.34 H new ATOM 0 HA ILE A 59 0.110 1.550 2.709 1.00 0.32 H new ATOM 0 HB ILE A 59 0.025 3.646 4.958 1.00 0.34 H new ATOM 0 HG12 ILE A 59 -0.345 1.383 6.294 1.00 0.35 H new ATOM 0 HG13 ILE A 59 0.415 0.637 4.903 1.00 0.35 H new ATOM 0 HG21 ILE A 59 -2.177 2.632 5.509 1.00 0.37 H new ATOM 0 HG22 ILE A 59 -2.180 3.307 3.862 1.00 0.37 H new ATOM 0 HG23 ILE A 59 -2.030 1.550 4.105 1.00 0.37 H new ATOM 0 HD11 ILE A 59 2.106 1.207 6.626 1.00 0.37 H new ATOM 0 HD12 ILE A 59 2.381 2.156 5.146 1.00 0.37 H new ATOM 0 HD13 ILE A 59 1.608 2.914 6.558 1.00 0.37 H new ATOM 658 N PRO A 60 0.213 3.571 0.969 1.00 0.36 N ATOM 659 CA PRO A 60 -0.292 4.481 -0.072 1.00 0.39 C ATOM 660 C PRO A 60 -1.185 3.701 -1.066 1.00 0.35 C ATOM 661 O PRO A 60 -0.821 3.549 -2.219 1.00 0.39 O ATOM 662 CB PRO A 60 1.009 4.898 -0.759 1.00 0.46 C ATOM 663 CG PRO A 60 1.973 3.759 -0.511 1.00 0.47 C ATOM 664 CD PRO A 60 1.297 2.776 0.424 1.00 0.40 C ATOM 0 HA PRO A 60 -0.893 5.309 0.303 1.00 0.39 H new ATOM 0 HB2 PRO A 60 0.856 5.059 -1.826 1.00 0.46 H new ATOM 0 HB3 PRO A 60 1.390 5.833 -0.347 1.00 0.46 H new ATOM 0 HG2 PRO A 60 2.239 3.273 -1.449 1.00 0.47 H new ATOM 0 HG3 PRO A 60 2.898 4.131 -0.071 1.00 0.47 H new ATOM 0 HD2 PRO A 60 0.931 1.896 -0.105 1.00 0.40 H new ATOM 0 HD3 PRO A 60 1.974 2.422 1.202 1.00 0.40 H new ATOM 672 N PRO A 61 -2.317 3.211 -0.604 1.00 0.34 N ATOM 673 CA PRO A 61 -3.212 2.434 -1.499 1.00 0.33 C ATOM 674 C PRO A 61 -3.827 3.346 -2.560 1.00 0.33 C ATOM 675 O PRO A 61 -4.676 4.169 -2.268 1.00 0.38 O ATOM 676 CB PRO A 61 -4.280 1.881 -0.563 1.00 0.35 C ATOM 677 CG PRO A 61 -4.287 2.817 0.597 1.00 0.37 C ATOM 678 CD PRO A 61 -2.876 3.326 0.748 1.00 0.37 C ATOM 0 HA PRO A 61 -2.691 1.646 -2.043 1.00 0.33 H new ATOM 0 HB2 PRO A 61 -5.254 1.847 -1.050 1.00 0.35 H new ATOM 0 HB3 PRO A 61 -4.044 0.864 -0.250 1.00 0.35 H new ATOM 0 HG2 PRO A 61 -4.980 3.641 0.426 1.00 0.37 H new ATOM 0 HG3 PRO A 61 -4.614 2.308 1.504 1.00 0.37 H new ATOM 0 HD2 PRO A 61 -2.858 4.357 1.102 1.00 0.37 H new ATOM 0 HD3 PRO A 61 -2.311 2.732 1.467 1.00 0.37 H new ATOM 686 N THR A 62 -3.400 3.206 -3.788 1.00 0.30 N ATOM 687 CA THR A 62 -3.949 4.061 -4.881 1.00 0.30 C ATOM 688 C THR A 62 -5.474 3.885 -4.971 1.00 0.30 C ATOM 689 O THR A 62 -6.048 3.050 -4.300 1.00 0.32 O ATOM 690 CB THR A 62 -3.227 3.580 -6.155 1.00 0.29 C ATOM 691 OG1 THR A 62 -2.697 4.703 -6.842 1.00 0.34 O ATOM 692 CG2 THR A 62 -4.190 2.832 -7.078 1.00 0.29 C ATOM 0 H THR A 62 -2.692 2.533 -4.082 1.00 0.30 H new ATOM 0 HA THR A 62 -3.783 5.126 -4.718 1.00 0.30 H new ATOM 0 HB THR A 62 -2.425 2.900 -5.866 1.00 0.29 H new ATOM 0 HG1 THR A 62 -2.235 4.403 -7.652 1.00 0.34 H new ATOM 0 HG21 THR A 62 -3.657 2.503 -7.970 1.00 0.29 H new ATOM 0 HG22 THR A 62 -4.595 1.965 -6.556 1.00 0.29 H new ATOM 0 HG23 THR A 62 -5.006 3.495 -7.367 1.00 0.29 H new ATOM 700 N ALA A 63 -6.125 4.679 -5.784 1.00 0.33 N ATOM 701 CA ALA A 63 -7.616 4.587 -5.918 1.00 0.36 C ATOM 702 C ALA A 63 -8.059 3.155 -6.243 1.00 0.34 C ATOM 703 O ALA A 63 -8.978 2.632 -5.642 1.00 0.35 O ATOM 704 CB ALA A 63 -7.965 5.525 -7.074 1.00 0.44 C ATOM 0 H ALA A 63 -5.686 5.393 -6.366 1.00 0.33 H new ATOM 0 HA ALA A 63 -8.120 4.860 -4.991 1.00 0.36 H new ATOM 0 HB1 ALA A 63 -9.043 5.515 -7.238 1.00 0.44 H new ATOM 0 HB2 ALA A 63 -7.644 6.538 -6.830 1.00 0.44 H new ATOM 0 HB3 ALA A 63 -7.458 5.191 -7.979 1.00 0.44 H new ATOM 710 N GLY A 64 -7.422 2.530 -7.200 1.00 0.33 N ATOM 711 CA GLY A 64 -7.803 1.139 -7.590 1.00 0.33 C ATOM 712 C GLY A 64 -7.771 0.206 -6.376 1.00 0.29 C ATOM 713 O GLY A 64 -8.680 -0.565 -6.166 1.00 0.33 O ATOM 0 H GLY A 64 -6.648 2.927 -7.732 1.00 0.33 H new ATOM 0 HA2 GLY A 64 -8.801 1.140 -8.028 1.00 0.33 H new ATOM 0 HA3 GLY A 64 -7.120 0.771 -8.355 1.00 0.33 H new ATOM 717 N ILE A 65 -6.728 0.261 -5.588 1.00 0.27 N ATOM 718 CA ILE A 65 -6.625 -0.634 -4.391 1.00 0.26 C ATOM 719 C ILE A 65 -7.915 -0.600 -3.566 1.00 0.27 C ATOM 720 O ILE A 65 -8.379 -1.620 -3.097 1.00 0.29 O ATOM 721 CB ILE A 65 -5.453 -0.079 -3.567 1.00 0.26 C ATOM 722 CG1 ILE A 65 -4.180 -0.007 -4.424 1.00 0.29 C ATOM 723 CG2 ILE A 65 -5.196 -0.992 -2.365 1.00 0.28 C ATOM 724 CD1 ILE A 65 -4.076 -1.244 -5.320 1.00 0.30 C ATOM 0 H ILE A 65 -5.937 0.891 -5.722 1.00 0.27 H new ATOM 0 HA ILE A 65 -6.468 -1.672 -4.683 1.00 0.26 H new ATOM 0 HB ILE A 65 -5.710 0.924 -3.227 1.00 0.26 H new ATOM 0 HG12 ILE A 65 -4.196 0.895 -5.036 1.00 0.29 H new ATOM 0 HG13 ILE A 65 -3.303 0.060 -3.781 1.00 0.29 H new ATOM 0 HG21 ILE A 65 -4.365 -0.598 -1.780 1.00 0.28 H new ATOM 0 HG22 ILE A 65 -6.090 -1.034 -1.742 1.00 0.28 H new ATOM 0 HG23 ILE A 65 -4.951 -1.995 -2.715 1.00 0.28 H new ATOM 0 HD11 ILE A 65 -3.170 -1.182 -5.923 1.00 0.30 H new ATOM 0 HD12 ILE A 65 -4.039 -2.140 -4.700 1.00 0.30 H new ATOM 0 HD13 ILE A 65 -4.945 -1.292 -5.976 1.00 0.30 H new ATOM 736 N LEU A 66 -8.493 0.560 -3.389 1.00 0.30 N ATOM 737 CA LEU A 66 -9.749 0.657 -2.588 1.00 0.34 C ATOM 738 C LEU A 66 -10.957 0.236 -3.430 1.00 0.34 C ATOM 739 O LEU A 66 -11.722 -0.624 -3.036 1.00 0.39 O ATOM 740 CB LEU A 66 -9.866 2.134 -2.181 1.00 0.43 C ATOM 741 CG LEU A 66 -8.779 2.521 -1.157 1.00 0.48 C ATOM 742 CD1 LEU A 66 -8.459 1.346 -0.226 1.00 0.63 C ATOM 743 CD2 LEU A 66 -7.506 2.946 -1.892 1.00 0.39 C ATOM 0 H LEU A 66 -8.149 1.444 -3.765 1.00 0.30 H new ATOM 0 HA LEU A 66 -9.724 -0.000 -1.719 1.00 0.34 H new ATOM 0 HB2 LEU A 66 -9.777 2.765 -3.065 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -10.852 2.319 -1.755 1.00 0.43 H new ATOM 0 HG LEU A 66 -9.155 3.349 -0.556 1.00 0.48 H new ATOM 0 HD11 LEU A 66 -7.690 1.645 0.486 1.00 0.63 H new ATOM 0 HD12 LEU A 66 -9.360 1.054 0.314 1.00 0.63 H new ATOM 0 HD13 LEU A 66 -8.100 0.502 -0.815 1.00 0.63 H new ATOM 0 HD21 LEU A 66 -6.740 3.219 -1.166 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -7.147 2.119 -2.505 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -7.723 3.803 -2.530 1.00 0.39 H new ATOM 755 N LYS A 67 -11.133 0.836 -4.581 1.00 0.34 N ATOM 756 CA LYS A 67 -12.295 0.471 -5.450 1.00 0.39 C ATOM 757 C LYS A 67 -12.271 -1.028 -5.761 1.00 0.38 C ATOM 758 O LYS A 67 -13.301 -1.670 -5.845 1.00 0.46 O ATOM 759 CB LYS A 67 -12.113 1.291 -6.728 1.00 0.44 C ATOM 760 CG LYS A 67 -12.454 2.757 -6.447 1.00 0.48 C ATOM 761 CD LYS A 67 -13.973 2.922 -6.358 1.00 0.63 C ATOM 762 CE LYS A 67 -14.576 2.884 -7.764 1.00 0.87 C ATOM 763 NZ LYS A 67 -16.042 2.729 -7.550 1.00 1.20 N ATOM 0 H LYS A 67 -10.523 1.562 -4.957 1.00 0.34 H new ATOM 0 HA LYS A 67 -13.251 0.680 -4.970 1.00 0.39 H new ATOM 0 HB2 LYS A 67 -11.086 1.207 -7.083 1.00 0.44 H new ATOM 0 HB3 LYS A 67 -12.756 0.902 -7.517 1.00 0.44 H new ATOM 0 HG2 LYS A 67 -11.988 3.077 -5.515 1.00 0.48 H new ATOM 0 HG3 LYS A 67 -12.055 3.392 -7.238 1.00 0.48 H new ATOM 0 HD2 LYS A 67 -14.400 2.127 -5.746 1.00 0.63 H new ATOM 0 HD3 LYS A 67 -14.219 3.866 -5.871 1.00 0.63 H new ATOM 0 HE2 LYS A 67 -14.352 3.798 -8.315 1.00 0.87 H new ATOM 0 HE3 LYS A 67 -14.172 2.055 -8.345 1.00 0.87 H new ATOM 0 HZ1 LYS A 67 -16.525 2.695 -8.470 1.00 1.20 H new ATOM 0 HZ2 LYS A 67 -16.226 1.847 -7.030 1.00 1.20 H new ATOM 0 HZ3 LYS A 67 -16.400 3.536 -7.001 1.00 1.20 H new ATOM 777 N ARG A 68 -11.098 -1.586 -5.920 1.00 0.33 N ATOM 778 CA ARG A 68 -10.990 -3.044 -6.212 1.00 0.35 C ATOM 779 C ARG A 68 -11.112 -3.838 -4.904 1.00 0.33 C ATOM 780 O ARG A 68 -11.517 -4.985 -4.896 1.00 0.39 O ATOM 781 CB ARG A 68 -9.613 -3.220 -6.877 1.00 0.33 C ATOM 782 CG ARG A 68 -8.546 -3.602 -5.845 1.00 0.33 C ATOM 783 CD ARG A 68 -7.154 -3.403 -6.455 1.00 0.35 C ATOM 784 NE ARG A 68 -6.930 -4.601 -7.315 1.00 0.49 N ATOM 785 CZ ARG A 68 -7.549 -4.713 -8.459 1.00 0.41 C ATOM 786 NH1 ARG A 68 -7.640 -3.684 -9.256 1.00 0.63 N ATOM 787 NH2 ARG A 68 -8.078 -5.854 -8.805 1.00 0.69 N ATOM 0 H ARG A 68 -10.208 -1.091 -5.860 1.00 0.33 H new ATOM 0 HA ARG A 68 -11.780 -3.412 -6.867 1.00 0.35 H new ATOM 0 HB2 ARG A 68 -9.673 -3.991 -7.645 1.00 0.33 H new ATOM 0 HB3 ARG A 68 -9.326 -2.294 -7.376 1.00 0.33 H new ATOM 0 HG2 ARG A 68 -8.654 -2.989 -4.950 1.00 0.33 H new ATOM 0 HG3 ARG A 68 -8.676 -4.640 -5.538 1.00 0.33 H new ATOM 0 HD2 ARG A 68 -7.108 -2.484 -7.040 1.00 0.35 H new ATOM 0 HD3 ARG A 68 -6.391 -3.326 -5.680 1.00 0.35 H new ATOM 0 HE ARG A 68 -6.291 -5.335 -7.008 1.00 0.49 H new ATOM 0 HH11 ARG A 68 -7.227 -2.791 -8.985 1.00 0.63 H new ATOM 0 HH12 ARG A 68 -8.124 -3.772 -10.150 1.00 0.63 H new ATOM 0 HH21 ARG A 68 -8.008 -6.658 -8.182 1.00 0.69 H new ATOM 0 HH22 ARG A 68 -8.562 -5.942 -9.699 1.00 0.69 H new ATOM 801 N TRP A 69 -10.767 -3.219 -3.802 1.00 0.29 N ATOM 802 CA TRP A 69 -10.858 -3.898 -2.471 1.00 0.28 C ATOM 803 C TRP A 69 -12.256 -4.487 -2.241 1.00 0.31 C ATOM 804 O TRP A 69 -12.400 -5.545 -1.658 1.00 0.36 O ATOM 805 CB TRP A 69 -10.613 -2.776 -1.467 1.00 0.27 C ATOM 806 CG TRP A 69 -9.939 -3.300 -0.243 1.00 0.26 C ATOM 807 CD1 TRP A 69 -10.420 -3.156 1.010 1.00 0.29 C ATOM 808 CD2 TRP A 69 -8.678 -4.028 -0.117 1.00 0.25 C ATOM 809 NE1 TRP A 69 -9.541 -3.739 1.897 1.00 0.31 N ATOM 810 CE2 TRP A 69 -8.454 -4.288 1.257 1.00 0.28 C ATOM 811 CE3 TRP A 69 -7.713 -4.483 -1.040 1.00 0.27 C ATOM 812 CZ2 TRP A 69 -7.322 -4.967 1.701 1.00 0.31 C ATOM 813 CZ3 TRP A 69 -6.573 -5.169 -0.591 1.00 0.30 C ATOM 814 CH2 TRP A 69 -6.380 -5.406 0.776 1.00 0.32 C ATOM 0 H TRP A 69 -10.422 -2.260 -3.767 1.00 0.29 H new ATOM 0 HA TRP A 69 -10.151 -4.723 -2.388 1.00 0.28 H new ATOM 0 HB2 TRP A 69 -9.997 -2.001 -1.924 1.00 0.27 H new ATOM 0 HB3 TRP A 69 -11.561 -2.311 -1.195 1.00 0.27 H new ATOM 0 HD1 TRP A 69 -11.344 -2.664 1.275 1.00 0.29 H new ATOM 0 HE1 TRP A 69 -9.680 -3.761 2.907 1.00 0.31 H new ATOM 0 HE3 TRP A 69 -7.852 -4.303 -2.096 1.00 0.27 H new ATOM 0 HZ2 TRP A 69 -7.177 -5.151 2.755 1.00 0.31 H new ATOM 0 HZ3 TRP A 69 -5.840 -5.516 -1.304 1.00 0.30 H new ATOM 0 HH2 TRP A 69 -5.498 -5.931 1.113 1.00 0.32 H new ATOM 825 N GLY A 70 -13.285 -3.794 -2.671 1.00 0.32 N ATOM 826 CA GLY A 70 -14.677 -4.294 -2.450 1.00 0.37 C ATOM 827 C GLY A 70 -15.327 -4.697 -3.775 1.00 0.39 C ATOM 828 O GLY A 70 -16.453 -4.332 -4.055 1.00 0.47 O ATOM 0 H GLY A 70 -13.219 -2.904 -3.165 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -14.658 -5.149 -1.774 1.00 0.37 H new ATOM 0 HA3 GLY A 70 -15.274 -3.520 -1.968 1.00 0.37 H new ATOM 832 N THR A 71 -14.638 -5.460 -4.582 1.00 0.36 N ATOM 833 CA THR A 71 -15.229 -5.903 -5.880 1.00 0.42 C ATOM 834 C THR A 71 -14.432 -7.082 -6.448 1.00 0.36 C ATOM 835 O THR A 71 -14.407 -7.305 -7.644 1.00 0.48 O ATOM 836 CB THR A 71 -15.156 -4.679 -6.803 1.00 0.60 C ATOM 837 OG1 THR A 71 -16.103 -4.825 -7.850 1.00 0.78 O ATOM 838 CG2 THR A 71 -13.754 -4.546 -7.402 1.00 0.72 C ATOM 0 H THR A 71 -13.692 -5.796 -4.399 1.00 0.36 H new ATOM 0 HA THR A 71 -16.257 -6.249 -5.770 1.00 0.42 H new ATOM 0 HB THR A 71 -15.378 -3.784 -6.222 1.00 0.60 H new ATOM 0 HG1 THR A 71 -15.980 -5.696 -8.283 1.00 0.78 H new ATOM 0 HG21 THR A 71 -13.718 -3.673 -8.054 1.00 0.72 H new ATOM 0 HG22 THR A 71 -13.025 -4.430 -6.600 1.00 0.72 H new ATOM 0 HG23 THR A 71 -13.519 -5.440 -7.979 1.00 0.72 H new ATOM 846 N ILE A 72 -13.788 -7.837 -5.594 1.00 0.37 N ATOM 847 CA ILE A 72 -12.993 -9.007 -6.066 1.00 0.43 C ATOM 848 C ILE A 72 -13.619 -10.307 -5.538 1.00 0.45 C ATOM 849 O ILE A 72 -14.799 -10.543 -5.719 1.00 0.53 O ATOM 850 CB ILE A 72 -11.581 -8.782 -5.511 1.00 0.45 C ATOM 851 CG1 ILE A 72 -11.634 -8.661 -3.987 1.00 0.43 C ATOM 852 CG2 ILE A 72 -11.000 -7.496 -6.100 1.00 0.53 C ATOM 853 CD1 ILE A 72 -10.338 -9.211 -3.388 1.00 0.39 C ATOM 0 H ILE A 72 -13.780 -7.691 -4.585 1.00 0.37 H new ATOM 0 HA ILE A 72 -12.972 -9.098 -7.152 1.00 0.43 H new ATOM 0 HB ILE A 72 -10.951 -9.629 -5.784 1.00 0.45 H new ATOM 0 HG12 ILE A 72 -11.767 -7.618 -3.698 1.00 0.43 H new ATOM 0 HG13 ILE A 72 -12.490 -9.212 -3.597 1.00 0.43 H new ATOM 0 HG21 ILE A 72 -9.997 -7.336 -5.706 1.00 0.53 H new ATOM 0 HG22 ILE A 72 -10.954 -7.581 -7.186 1.00 0.53 H new ATOM 0 HG23 ILE A 72 -11.635 -6.652 -5.829 1.00 0.53 H new ATOM 0 HD11 ILE A 72 -10.374 -9.125 -2.302 1.00 0.39 H new ATOM 0 HD12 ILE A 72 -10.225 -10.259 -3.666 1.00 0.39 H new ATOM 0 HD13 ILE A 72 -9.491 -8.641 -3.769 1.00 0.39 H new ATOM 865 N LYS A 73 -12.847 -11.156 -4.906 1.00 0.50 N ATOM 866 CA LYS A 73 -13.405 -12.442 -4.389 1.00 0.57 C ATOM 867 C LYS A 73 -13.309 -12.517 -2.868 1.00 0.48 C ATOM 868 O LYS A 73 -14.161 -13.088 -2.217 1.00 0.57 O ATOM 869 CB LYS A 73 -12.522 -13.516 -5.019 1.00 0.72 C ATOM 870 CG LYS A 73 -12.996 -14.899 -4.580 1.00 0.79 C ATOM 871 CD LYS A 73 -13.887 -15.511 -5.667 1.00 0.91 C ATOM 872 CE LYS A 73 -15.190 -16.013 -5.041 1.00 1.20 C ATOM 873 NZ LYS A 73 -14.799 -17.211 -4.248 1.00 1.23 N ATOM 0 H LYS A 73 -11.853 -11.013 -4.726 1.00 0.50 H new ATOM 0 HA LYS A 73 -14.461 -12.554 -4.637 1.00 0.57 H new ATOM 0 HB2 LYS A 73 -12.557 -13.437 -6.106 1.00 0.72 H new ATOM 0 HB3 LYS A 73 -11.484 -13.366 -4.722 1.00 0.72 H new ATOM 0 HG2 LYS A 73 -12.138 -15.545 -4.393 1.00 0.79 H new ATOM 0 HG3 LYS A 73 -13.549 -14.824 -3.643 1.00 0.79 H new ATOM 0 HD2 LYS A 73 -14.103 -14.768 -6.435 1.00 0.91 H new ATOM 0 HD3 LYS A 73 -13.367 -16.334 -6.157 1.00 0.91 H new ATOM 0 HE2 LYS A 73 -15.643 -15.251 -4.407 1.00 1.20 H new ATOM 0 HE3 LYS A 73 -15.923 -16.268 -5.806 1.00 1.20 H new ATOM 0 HZ1 LYS A 73 -15.653 -17.681 -3.885 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 -14.271 -17.871 -4.854 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 -14.199 -16.919 -3.450 1.00 1.23 H new ATOM 887 N LYS A 74 -12.258 -11.972 -2.316 1.00 0.35 N ATOM 888 CA LYS A 74 -12.027 -12.008 -0.835 1.00 0.32 C ATOM 889 C LYS A 74 -11.630 -13.419 -0.395 1.00 0.34 C ATOM 890 O LYS A 74 -10.675 -13.596 0.334 1.00 0.33 O ATOM 891 CB LYS A 74 -13.328 -11.585 -0.131 1.00 0.42 C ATOM 892 CG LYS A 74 -13.954 -10.366 -0.807 1.00 0.37 C ATOM 893 CD LYS A 74 -12.884 -9.320 -1.141 1.00 0.34 C ATOM 894 CE LYS A 74 -12.222 -8.822 0.147 1.00 0.34 C ATOM 895 NZ LYS A 74 -11.414 -7.633 -0.259 1.00 0.29 N ATOM 0 H LYS A 74 -11.529 -11.490 -2.841 1.00 0.35 H new ATOM 0 HA LYS A 74 -11.218 -11.327 -0.570 1.00 0.32 H new ATOM 0 HB2 LYS A 74 -14.036 -12.414 -0.142 1.00 0.42 H new ATOM 0 HB3 LYS A 74 -13.121 -11.357 0.915 1.00 0.42 H new ATOM 0 HG2 LYS A 74 -14.466 -10.673 -1.719 1.00 0.37 H new ATOM 0 HG3 LYS A 74 -14.706 -9.927 -0.151 1.00 0.37 H new ATOM 0 HD2 LYS A 74 -12.133 -9.753 -1.802 1.00 0.34 H new ATOM 0 HD3 LYS A 74 -13.335 -8.484 -1.675 1.00 0.34 H new ATOM 0 HE2 LYS A 74 -12.969 -8.554 0.894 1.00 0.34 H new ATOM 0 HE3 LYS A 74 -11.592 -9.594 0.589 1.00 0.34 H new ATOM 0 HZ1 LYS A 74 -11.399 -6.942 0.518 1.00 0.29 H new ATOM 0 HZ2 LYS A 74 -10.442 -7.932 -0.476 1.00 0.29 H new ATOM 0 HZ3 LYS A 74 -11.838 -7.197 -1.102 1.00 0.29 H new ATOM 909 N SER A 75 -12.345 -14.426 -0.839 1.00 0.42 N ATOM 910 CA SER A 75 -11.993 -15.822 -0.444 1.00 0.46 C ATOM 911 C SER A 75 -10.568 -16.124 -0.898 1.00 0.40 C ATOM 912 O SER A 75 -9.798 -16.745 -0.193 1.00 0.43 O ATOM 913 CB SER A 75 -13.005 -16.718 -1.163 1.00 0.55 C ATOM 914 OG SER A 75 -12.666 -16.813 -2.541 1.00 0.92 O ATOM 0 H SER A 75 -13.153 -14.339 -1.455 1.00 0.42 H new ATOM 0 HA SER A 75 -12.032 -15.981 0.634 1.00 0.46 H new ATOM 0 HB2 SER A 75 -13.013 -17.710 -0.711 1.00 0.55 H new ATOM 0 HB3 SER A 75 -14.010 -16.310 -1.053 1.00 0.55 H new ATOM 0 HG SER A 75 -12.651 -17.755 -2.810 1.00 0.92 H new ATOM 920 N LYS A 76 -10.215 -15.662 -2.068 1.00 0.36 N ATOM 921 CA LYS A 76 -8.838 -15.888 -2.587 1.00 0.32 C ATOM 922 C LYS A 76 -7.871 -14.921 -1.901 1.00 0.28 C ATOM 923 O LYS A 76 -6.772 -15.289 -1.534 1.00 0.33 O ATOM 924 CB LYS A 76 -8.930 -15.599 -4.087 1.00 0.38 C ATOM 925 CG LYS A 76 -8.376 -16.790 -4.878 1.00 0.50 C ATOM 926 CD LYS A 76 -9.505 -17.444 -5.676 1.00 0.61 C ATOM 927 CE LYS A 76 -9.632 -16.756 -7.036 1.00 0.73 C ATOM 928 NZ LYS A 76 -10.024 -17.841 -7.979 1.00 0.64 N ATOM 0 H LYS A 76 -10.828 -15.134 -2.690 1.00 0.36 H new ATOM 0 HA LYS A 76 -8.472 -16.897 -2.397 1.00 0.32 H new ATOM 0 HB2 LYS A 76 -9.967 -15.414 -4.368 1.00 0.38 H new ATOM 0 HB3 LYS A 76 -8.368 -14.697 -4.328 1.00 0.38 H new ATOM 0 HG2 LYS A 76 -7.586 -16.457 -5.551 1.00 0.50 H new ATOM 0 HG3 LYS A 76 -7.930 -17.516 -4.198 1.00 0.50 H new ATOM 0 HD2 LYS A 76 -9.301 -18.506 -5.811 1.00 0.61 H new ATOM 0 HD3 LYS A 76 -10.444 -17.367 -5.128 1.00 0.61 H new ATOM 0 HE2 LYS A 76 -10.382 -15.965 -7.010 1.00 0.73 H new ATOM 0 HE3 LYS A 76 -8.691 -16.294 -7.334 1.00 0.73 H new ATOM 0 HZ1 LYS A 76 -10.131 -17.448 -8.936 1.00 0.64 H new ATOM 0 HZ2 LYS A 76 -9.289 -18.576 -7.987 1.00 0.64 H new ATOM 0 HZ3 LYS A 76 -10.927 -18.258 -7.673 1.00 0.64 H new ATOM 942 N ALA A 77 -8.281 -13.688 -1.715 1.00 0.27 N ATOM 943 CA ALA A 77 -7.393 -12.695 -1.037 1.00 0.28 C ATOM 944 C ALA A 77 -7.131 -13.143 0.397 1.00 0.27 C ATOM 945 O ALA A 77 -5.999 -13.230 0.835 1.00 0.32 O ATOM 946 CB ALA A 77 -8.168 -11.377 -1.044 1.00 0.32 C ATOM 0 H ALA A 77 -9.191 -13.329 -2.004 1.00 0.27 H new ATOM 0 HA ALA A 77 -6.430 -12.595 -1.537 1.00 0.28 H new ATOM 0 HB1 ALA A 77 -7.573 -10.602 -0.560 1.00 0.32 H new ATOM 0 HB2 ALA A 77 -8.378 -11.084 -2.073 1.00 0.32 H new ATOM 0 HB3 ALA A 77 -9.106 -11.504 -0.504 1.00 0.32 H new ATOM 952 N ILE A 78 -8.175 -13.434 1.130 1.00 0.28 N ATOM 953 CA ILE A 78 -7.999 -13.887 2.538 1.00 0.30 C ATOM 954 C ILE A 78 -7.157 -15.165 2.559 1.00 0.30 C ATOM 955 O ILE A 78 -6.271 -15.315 3.379 1.00 0.34 O ATOM 956 CB ILE A 78 -9.417 -14.131 3.061 1.00 0.33 C ATOM 957 CG1 ILE A 78 -10.183 -12.804 3.056 1.00 0.35 C ATOM 958 CG2 ILE A 78 -9.354 -14.678 4.488 1.00 0.39 C ATOM 959 CD1 ILE A 78 -11.676 -13.060 2.838 1.00 0.37 C ATOM 0 H ILE A 78 -9.142 -13.377 0.812 1.00 0.28 H new ATOM 0 HA ILE A 78 -7.478 -13.159 3.160 1.00 0.30 H new ATOM 0 HB ILE A 78 -9.924 -14.855 2.423 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -10.030 -12.283 4.001 1.00 0.35 H new ATOM 0 HG13 ILE A 78 -9.798 -12.156 2.269 1.00 0.35 H new ATOM 0 HG21 ILE A 78 -10.365 -14.850 4.857 1.00 0.39 H new ATOM 0 HG22 ILE A 78 -8.801 -15.617 4.494 1.00 0.39 H new ATOM 0 HG23 ILE A 78 -8.851 -13.957 5.132 1.00 0.39 H new ATOM 0 HD11 ILE A 78 -12.211 -12.111 2.836 1.00 0.37 H new ATOM 0 HD12 ILE A 78 -11.823 -13.562 1.882 1.00 0.37 H new ATOM 0 HD13 ILE A 78 -12.058 -13.690 3.641 1.00 0.37 H new ATOM 971 N ASN A 79 -7.399 -16.071 1.640 1.00 0.30 N ATOM 972 CA ASN A 79 -6.576 -17.315 1.593 1.00 0.32 C ATOM 973 C ASN A 79 -5.141 -16.925 1.247 1.00 0.30 C ATOM 974 O ASN A 79 -4.189 -17.471 1.771 1.00 0.34 O ATOM 975 CB ASN A 79 -7.183 -18.175 0.484 1.00 0.34 C ATOM 976 CG ASN A 79 -8.146 -19.194 1.097 1.00 0.40 C ATOM 977 OD1 ASN A 79 -7.759 -19.983 1.936 1.00 0.57 O ATOM 978 ND2 ASN A 79 -9.392 -19.211 0.712 1.00 0.46 N ATOM 0 H ASN A 79 -8.125 -16.001 0.927 1.00 0.30 H new ATOM 0 HA ASN A 79 -6.567 -17.856 2.539 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.711 -17.545 -0.232 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -6.394 -18.689 -0.065 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -10.041 -19.887 1.115 1.00 0.46 H new ATOM 0 HD22 ASN A 79 -9.717 -18.549 0.008 1.00 0.46 H new ATOM 985 N VAL A 80 -4.991 -15.953 0.379 1.00 0.28 N ATOM 986 CA VAL A 80 -3.630 -15.478 0.000 1.00 0.28 C ATOM 987 C VAL A 80 -2.954 -14.904 1.246 1.00 0.28 C ATOM 988 O VAL A 80 -1.832 -15.246 1.571 1.00 0.31 O ATOM 989 CB VAL A 80 -3.875 -14.396 -1.070 1.00 0.29 C ATOM 990 CG1 VAL A 80 -2.952 -13.190 -0.857 1.00 0.32 C ATOM 991 CG2 VAL A 80 -3.612 -14.990 -2.455 1.00 0.40 C ATOM 0 H VAL A 80 -5.760 -15.468 -0.084 1.00 0.28 H new ATOM 0 HA VAL A 80 -2.979 -16.262 -0.387 1.00 0.28 H new ATOM 0 HB VAL A 80 -4.909 -14.059 -0.990 1.00 0.29 H new ATOM 0 HG11 VAL A 80 -3.147 -12.443 -1.626 1.00 0.32 H new ATOM 0 HG12 VAL A 80 -3.140 -12.757 0.126 1.00 0.32 H new ATOM 0 HG13 VAL A 80 -1.912 -13.512 -0.919 1.00 0.32 H new ATOM 0 HG21 VAL A 80 -3.784 -14.229 -3.216 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -2.580 -15.335 -2.513 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -4.285 -15.831 -2.624 1.00 0.40 H new ATOM 1001 N LEU A 81 -3.646 -14.044 1.953 1.00 0.29 N ATOM 1002 CA LEU A 81 -3.068 -13.453 3.195 1.00 0.31 C ATOM 1003 C LEU A 81 -2.740 -14.575 4.176 1.00 0.32 C ATOM 1004 O LEU A 81 -1.780 -14.503 4.920 1.00 0.38 O ATOM 1005 CB LEU A 81 -4.155 -12.534 3.752 1.00 0.34 C ATOM 1006 CG LEU A 81 -3.652 -11.090 3.736 1.00 0.47 C ATOM 1007 CD1 LEU A 81 -4.040 -10.426 2.415 1.00 0.96 C ATOM 1008 CD2 LEU A 81 -4.283 -10.323 4.896 1.00 0.68 C ATOM 0 H LEU A 81 -4.587 -13.727 1.721 1.00 0.29 H new ATOM 0 HA LEU A 81 -2.146 -12.900 3.013 1.00 0.31 H new ATOM 0 HB2 LEU A 81 -5.063 -12.622 3.155 1.00 0.34 H new ATOM 0 HB3 LEU A 81 -4.412 -12.830 4.769 1.00 0.34 H new ATOM 0 HG LEU A 81 -2.567 -11.082 3.839 1.00 0.47 H new ATOM 0 HD11 LEU A 81 -3.681 -9.397 2.406 1.00 0.96 H new ATOM 0 HD12 LEU A 81 -3.592 -10.974 1.587 1.00 0.96 H new ATOM 0 HD13 LEU A 81 -5.125 -10.432 2.309 1.00 0.96 H new ATOM 0 HD21 LEU A 81 -3.927 -9.293 4.888 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -5.368 -10.332 4.791 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -4.005 -10.795 5.838 1.00 0.68 H new ATOM 1020 N ARG A 82 -3.519 -15.626 4.158 1.00 0.30 N ATOM 1021 CA ARG A 82 -3.241 -16.774 5.062 1.00 0.34 C ATOM 1022 C ARG A 82 -1.951 -17.450 4.600 1.00 0.32 C ATOM 1023 O ARG A 82 -1.105 -17.816 5.396 1.00 0.37 O ATOM 1024 CB ARG A 82 -4.437 -17.714 4.901 1.00 0.37 C ATOM 1025 CG ARG A 82 -4.810 -18.306 6.261 1.00 0.48 C ATOM 1026 CD ARG A 82 -6.021 -17.564 6.831 1.00 0.56 C ATOM 1027 NE ARG A 82 -6.963 -18.636 7.259 1.00 0.71 N ATOM 1028 CZ ARG A 82 -7.574 -19.372 6.368 1.00 0.90 C ATOM 1029 NH1 ARG A 82 -8.153 -18.816 5.337 1.00 1.13 N ATOM 1030 NH2 ARG A 82 -7.605 -20.667 6.513 1.00 1.14 N ATOM 0 H ARG A 82 -4.335 -15.736 3.555 1.00 0.30 H new ATOM 0 HA ARG A 82 -3.113 -16.481 6.104 1.00 0.34 H new ATOM 0 HB2 ARG A 82 -5.285 -17.171 4.484 1.00 0.37 H new ATOM 0 HB3 ARG A 82 -4.193 -18.512 4.200 1.00 0.37 H new ATOM 0 HG2 ARG A 82 -5.037 -19.367 6.157 1.00 0.48 H new ATOM 0 HG3 ARG A 82 -3.967 -18.227 6.947 1.00 0.48 H new ATOM 0 HD2 ARG A 82 -5.736 -16.930 7.671 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -6.475 -16.915 6.082 1.00 0.56 H new ATOM 0 HE ARG A 82 -7.132 -18.796 8.252 1.00 0.71 H new ATOM 0 HH11 ARG A 82 -8.130 -17.803 5.224 1.00 1.13 H new ATOM 0 HH12 ARG A 82 -8.628 -19.395 4.645 1.00 1.13 H new ATOM 0 HH21 ARG A 82 -7.154 -21.101 7.318 1.00 1.14 H new ATOM 0 HH22 ARG A 82 -8.080 -21.246 5.821 1.00 1.14 H new ATOM 1044 N GLY A 83 -1.792 -17.590 3.306 1.00 0.32 N ATOM 1045 CA GLY A 83 -0.553 -18.212 2.760 1.00 0.34 C ATOM 1046 C GLY A 83 0.630 -17.316 3.117 1.00 0.31 C ATOM 1047 O GLY A 83 1.701 -17.790 3.451 1.00 0.33 O ATOM 0 H GLY A 83 -2.472 -17.298 2.604 1.00 0.32 H new ATOM 0 HA2 GLY A 83 -0.413 -19.209 3.177 1.00 0.34 H new ATOM 0 HA3 GLY A 83 -0.630 -18.326 1.679 1.00 0.34 H new ATOM 1051 N PHE A 84 0.434 -16.019 3.072 1.00 0.31 N ATOM 1052 CA PHE A 84 1.535 -15.081 3.433 1.00 0.32 C ATOM 1053 C PHE A 84 1.932 -15.333 4.887 1.00 0.32 C ATOM 1054 O PHE A 84 3.096 -15.298 5.241 1.00 0.34 O ATOM 1055 CB PHE A 84 0.947 -13.675 3.268 1.00 0.34 C ATOM 1056 CG PHE A 84 1.053 -13.229 1.832 1.00 0.32 C ATOM 1057 CD1 PHE A 84 2.252 -13.388 1.128 1.00 0.52 C ATOM 1058 CD2 PHE A 84 -0.053 -12.643 1.207 1.00 0.30 C ATOM 1059 CE1 PHE A 84 2.341 -12.961 -0.199 1.00 0.58 C ATOM 1060 CE2 PHE A 84 0.039 -12.215 -0.117 1.00 0.36 C ATOM 1061 CZ PHE A 84 1.233 -12.375 -0.819 1.00 0.47 C ATOM 0 H PHE A 84 -0.442 -15.573 2.800 1.00 0.31 H new ATOM 0 HA PHE A 84 2.423 -15.208 2.814 1.00 0.32 H new ATOM 0 HB2 PHE A 84 -0.097 -13.671 3.581 1.00 0.34 H new ATOM 0 HB3 PHE A 84 1.476 -12.974 3.914 1.00 0.34 H new ATOM 0 HD1 PHE A 84 3.107 -13.840 1.610 1.00 0.52 H new ATOM 0 HD2 PHE A 84 -0.979 -12.522 1.750 1.00 0.30 H new ATOM 0 HE1 PHE A 84 3.264 -13.083 -0.746 1.00 0.58 H new ATOM 0 HE2 PHE A 84 -0.814 -11.760 -0.598 1.00 0.36 H new ATOM 0 HZ PHE A 84 1.302 -12.045 -1.845 1.00 0.47 H new ATOM 1071 N ARG A 85 0.962 -15.612 5.725 1.00 0.32 N ATOM 1072 CA ARG A 85 1.263 -15.899 7.158 1.00 0.35 C ATOM 1073 C ARG A 85 2.109 -17.168 7.238 1.00 0.35 C ATOM 1074 O ARG A 85 3.021 -17.272 8.035 1.00 0.39 O ATOM 1075 CB ARG A 85 -0.100 -16.111 7.821 1.00 0.41 C ATOM 1076 CG ARG A 85 -0.022 -15.706 9.296 1.00 0.49 C ATOM 1077 CD ARG A 85 -0.051 -16.958 10.176 1.00 0.48 C ATOM 1078 NE ARG A 85 -1.451 -17.458 10.085 1.00 0.41 N ATOM 1079 CZ ARG A 85 -2.307 -17.177 11.029 1.00 0.52 C ATOM 1080 NH1 ARG A 85 -2.893 -16.012 11.054 1.00 0.70 N ATOM 1081 NH2 ARG A 85 -2.578 -18.063 11.949 1.00 0.88 N ATOM 0 H ARG A 85 -0.026 -15.653 5.475 1.00 0.32 H new ATOM 0 HA ARG A 85 1.818 -15.098 7.647 1.00 0.35 H new ATOM 0 HB2 ARG A 85 -0.860 -15.519 7.311 1.00 0.41 H new ATOM 0 HB3 ARG A 85 -0.399 -17.156 7.736 1.00 0.41 H new ATOM 0 HG2 ARG A 85 0.892 -15.141 9.480 1.00 0.49 H new ATOM 0 HG3 ARG A 85 -0.857 -15.053 9.549 1.00 0.49 H new ATOM 0 HD2 ARG A 85 0.659 -17.706 9.823 1.00 0.48 H new ATOM 0 HD3 ARG A 85 0.219 -16.723 11.206 1.00 0.48 H new ATOM 0 HE ARG A 85 -1.741 -18.020 9.285 1.00 0.41 H new ATOM 0 HH11 ARG A 85 -2.682 -15.320 10.335 1.00 0.70 H new ATOM 0 HH12 ARG A 85 -3.562 -15.793 11.792 1.00 0.70 H new ATOM 0 HH21 ARG A 85 -2.121 -18.975 11.930 1.00 0.88 H new ATOM 0 HH22 ARG A 85 -3.247 -17.844 12.687 1.00 0.88 H new ATOM 1095 N LYS A 86 1.823 -18.126 6.395 1.00 0.35 N ATOM 1096 CA LYS A 86 2.622 -19.383 6.394 1.00 0.37 C ATOM 1097 C LYS A 86 3.973 -19.110 5.732 1.00 0.36 C ATOM 1098 O LYS A 86 4.976 -19.711 6.071 1.00 0.43 O ATOM 1099 CB LYS A 86 1.805 -20.384 5.574 1.00 0.41 C ATOM 1100 CG LYS A 86 1.766 -21.730 6.302 1.00 0.48 C ATOM 1101 CD LYS A 86 0.887 -21.614 7.551 1.00 0.49 C ATOM 1102 CE LYS A 86 1.774 -21.465 8.791 1.00 0.46 C ATOM 1103 NZ LYS A 86 1.066 -22.220 9.862 1.00 0.42 N ATOM 0 H LYS A 86 1.070 -18.090 5.708 1.00 0.35 H new ATOM 0 HA LYS A 86 2.815 -19.764 7.397 1.00 0.37 H new ATOM 0 HB2 LYS A 86 0.792 -20.009 5.427 1.00 0.41 H new ATOM 0 HB3 LYS A 86 2.247 -20.506 4.585 1.00 0.41 H new ATOM 0 HG2 LYS A 86 1.374 -22.502 5.640 1.00 0.48 H new ATOM 0 HG3 LYS A 86 2.775 -22.033 6.582 1.00 0.48 H new ATOM 0 HD2 LYS A 86 0.222 -20.755 7.462 1.00 0.49 H new ATOM 0 HD3 LYS A 86 0.256 -22.497 7.647 1.00 0.49 H new ATOM 0 HE2 LYS A 86 2.770 -21.870 8.615 1.00 0.46 H new ATOM 0 HE3 LYS A 86 1.899 -20.417 9.063 1.00 0.46 H new ATOM 0 HZ1 LYS A 86 1.613 -22.165 10.745 1.00 0.42 H new ATOM 0 HZ2 LYS A 86 0.123 -21.808 10.012 1.00 0.42 H new ATOM 0 HZ3 LYS A 86 0.967 -23.215 9.578 1.00 0.42 H new ATOM 1117 N GLU A 87 4.002 -18.189 4.800 1.00 0.34 N ATOM 1118 CA GLU A 87 5.281 -17.846 4.115 1.00 0.35 C ATOM 1119 C GLU A 87 6.196 -17.104 5.091 1.00 0.34 C ATOM 1120 O GLU A 87 7.398 -17.294 5.095 1.00 0.37 O ATOM 1121 CB GLU A 87 4.883 -16.937 2.951 1.00 0.38 C ATOM 1122 CG GLU A 87 4.125 -17.751 1.899 1.00 0.40 C ATOM 1123 CD GLU A 87 5.043 -18.035 0.708 1.00 0.41 C ATOM 1124 OE1 GLU A 87 5.308 -17.111 -0.044 1.00 0.46 O ATOM 1125 OE2 GLU A 87 5.466 -19.171 0.570 1.00 0.47 O ATOM 0 H GLU A 87 3.189 -17.659 4.485 1.00 0.34 H new ATOM 0 HA GLU A 87 5.820 -18.727 3.766 1.00 0.35 H new ATOM 0 HB2 GLU A 87 4.259 -16.119 3.312 1.00 0.38 H new ATOM 0 HB3 GLU A 87 5.771 -16.488 2.507 1.00 0.38 H new ATOM 0 HG2 GLU A 87 3.775 -18.688 2.333 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.242 -17.204 1.568 1.00 0.40 H new ATOM 1132 N ILE A 88 5.630 -16.269 5.928 1.00 0.33 N ATOM 1133 CA ILE A 88 6.460 -15.524 6.917 1.00 0.34 C ATOM 1134 C ILE A 88 6.971 -16.508 7.977 1.00 0.32 C ATOM 1135 O ILE A 88 8.118 -16.453 8.390 1.00 0.34 O ATOM 1136 CB ILE A 88 5.522 -14.440 7.498 1.00 0.38 C ATOM 1137 CG1 ILE A 88 6.311 -13.139 7.686 1.00 0.49 C ATOM 1138 CG2 ILE A 88 4.916 -14.865 8.846 1.00 0.40 C ATOM 1139 CD1 ILE A 88 5.873 -12.117 6.634 1.00 0.73 C ATOM 0 H ILE A 88 4.630 -16.073 5.967 1.00 0.33 H new ATOM 0 HA ILE A 88 7.345 -15.055 6.487 1.00 0.34 H new ATOM 0 HB ILE A 88 4.702 -14.295 6.795 1.00 0.38 H new ATOM 0 HG12 ILE A 88 6.143 -12.741 8.687 1.00 0.49 H new ATOM 0 HG13 ILE A 88 7.380 -13.334 7.596 1.00 0.49 H new ATOM 0 HG21 ILE A 88 4.264 -14.074 9.217 1.00 0.40 H new ATOM 0 HG22 ILE A 88 4.338 -15.779 8.713 1.00 0.40 H new ATOM 0 HG23 ILE A 88 5.716 -15.043 9.565 1.00 0.40 H new ATOM 0 HD11 ILE A 88 6.435 -11.193 6.769 1.00 0.73 H new ATOM 0 HD12 ILE A 88 6.064 -12.516 5.638 1.00 0.73 H new ATOM 0 HD13 ILE A 88 4.808 -11.914 6.745 1.00 0.73 H new ATOM 1151 N GLY A 89 6.133 -17.427 8.394 1.00 0.34 N ATOM 1152 CA GLY A 89 6.567 -18.440 9.399 1.00 0.37 C ATOM 1153 C GLY A 89 7.714 -19.243 8.793 1.00 0.37 C ATOM 1154 O GLY A 89 8.648 -19.634 9.470 1.00 0.40 O ATOM 0 H GLY A 89 5.167 -17.517 8.079 1.00 0.34 H new ATOM 0 HA2 GLY A 89 6.888 -17.951 10.319 1.00 0.37 H new ATOM 0 HA3 GLY A 89 5.738 -19.097 9.660 1.00 0.37 H new ATOM 1158 N ARG A 90 7.655 -19.469 7.506 1.00 0.37 N ATOM 1159 CA ARG A 90 8.742 -20.221 6.826 1.00 0.39 C ATOM 1160 C ARG A 90 10.011 -19.372 6.825 1.00 0.36 C ATOM 1161 O ARG A 90 11.105 -19.882 6.980 1.00 0.38 O ATOM 1162 CB ARG A 90 8.250 -20.442 5.396 1.00 0.43 C ATOM 1163 CG ARG A 90 7.392 -21.705 5.335 1.00 0.46 C ATOM 1164 CD ARG A 90 6.863 -21.885 3.911 1.00 0.55 C ATOM 1165 NE ARG A 90 6.426 -23.307 3.838 1.00 0.60 N ATOM 1166 CZ ARG A 90 5.639 -23.699 2.874 1.00 0.71 C ATOM 1167 NH1 ARG A 90 4.523 -23.063 2.644 1.00 0.84 N ATOM 1168 NH2 ARG A 90 5.970 -24.724 2.138 1.00 0.83 N ATOM 0 H ARG A 90 6.896 -19.162 6.898 1.00 0.37 H new ATOM 0 HA ARG A 90 8.971 -21.166 7.319 1.00 0.39 H new ATOM 0 HB2 ARG A 90 7.670 -19.581 5.064 1.00 0.43 H new ATOM 0 HB3 ARG A 90 9.099 -20.535 4.719 1.00 0.43 H new ATOM 0 HG2 ARG A 90 7.981 -22.574 5.630 1.00 0.46 H new ATOM 0 HG3 ARG A 90 6.562 -21.630 6.037 1.00 0.46 H new ATOM 0 HD2 ARG A 90 6.034 -21.207 3.709 1.00 0.55 H new ATOM 0 HD3 ARG A 90 7.636 -21.671 3.173 1.00 0.55 H new ATOM 0 HE ARG A 90 6.742 -23.974 4.542 1.00 0.60 H new ATOM 0 HH11 ARG A 90 4.266 -22.260 3.218 1.00 0.84 H new ATOM 0 HH12 ARG A 90 3.908 -23.369 1.890 1.00 0.84 H new ATOM 0 HH21 ARG A 90 6.844 -25.219 2.316 1.00 0.83 H new ATOM 0 HH22 ARG A 90 5.355 -25.031 1.384 1.00 0.83 H new ATOM 1182 N MET A 91 9.867 -18.073 6.676 1.00 0.35 N ATOM 1183 CA MET A 91 11.061 -17.180 6.681 1.00 0.33 C ATOM 1184 C MET A 91 11.780 -17.352 8.010 1.00 0.33 C ATOM 1185 O MET A 91 12.994 -17.383 8.078 1.00 0.34 O ATOM 1186 CB MET A 91 10.516 -15.756 6.530 1.00 0.35 C ATOM 1187 CG MET A 91 11.434 -14.954 5.604 1.00 0.53 C ATOM 1188 SD MET A 91 10.858 -13.240 5.520 1.00 0.63 S ATOM 1189 CE MET A 91 9.397 -13.542 4.497 1.00 0.60 C ATOM 0 H MET A 91 8.973 -17.599 6.552 1.00 0.35 H new ATOM 0 HA MET A 91 11.768 -17.405 5.883 1.00 0.33 H new ATOM 0 HB2 MET A 91 9.505 -15.783 6.123 1.00 0.35 H new ATOM 0 HB3 MET A 91 10.454 -15.273 7.505 1.00 0.35 H new ATOM 0 HG2 MET A 91 12.459 -14.987 5.973 1.00 0.53 H new ATOM 0 HG3 MET A 91 11.440 -15.396 4.608 1.00 0.53 H new ATOM 0 HE1 MET A 91 9.510 -13.031 3.541 1.00 0.60 H new ATOM 0 HE2 MET A 91 9.288 -14.613 4.325 1.00 0.60 H new ATOM 0 HE3 MET A 91 8.511 -13.165 5.008 1.00 0.60 H new ATOM 1199 N LEU A 92 11.023 -17.501 9.064 1.00 0.35 N ATOM 1200 CA LEU A 92 11.636 -17.712 10.402 1.00 0.36 C ATOM 1201 C LEU A 92 12.377 -19.035 10.395 1.00 0.38 C ATOM 1202 O LEU A 92 13.496 -19.127 10.863 1.00 0.40 O ATOM 1203 CB LEU A 92 10.471 -17.718 11.369 1.00 0.40 C ATOM 1204 CG LEU A 92 9.858 -16.327 11.340 1.00 0.40 C ATOM 1205 CD1 LEU A 92 8.354 -16.412 11.614 1.00 0.45 C ATOM 1206 CD2 LEU A 92 10.529 -15.450 12.401 1.00 0.45 C ATOM 0 H LEU A 92 10.003 -17.485 9.053 1.00 0.35 H new ATOM 0 HA LEU A 92 12.359 -16.945 10.679 1.00 0.36 H new ATOM 0 HB2 LEU A 92 9.735 -18.469 11.081 1.00 0.40 H new ATOM 0 HB3 LEU A 92 10.807 -17.970 12.375 1.00 0.40 H new ATOM 0 HG LEU A 92 10.014 -15.887 10.355 1.00 0.40 H new ATOM 0 HD11 LEU A 92 7.923 -15.411 11.591 1.00 0.45 H new ATOM 0 HD12 LEU A 92 7.879 -17.029 10.851 1.00 0.45 H new ATOM 0 HD13 LEU A 92 8.187 -16.857 12.595 1.00 0.45 H new ATOM 0 HD21 LEU A 92 10.089 -14.453 12.380 1.00 0.45 H new ATOM 0 HD22 LEU A 92 10.379 -15.892 13.386 1.00 0.45 H new ATOM 0 HD23 LEU A 92 11.597 -15.380 12.193 1.00 0.45 H new ATOM 1218 N ASN A 93 11.779 -20.052 9.821 1.00 0.39 N ATOM 1219 CA ASN A 93 12.480 -21.363 9.731 1.00 0.41 C ATOM 1220 C ASN A 93 13.823 -21.129 9.036 1.00 0.39 C ATOM 1221 O ASN A 93 14.779 -21.853 9.242 1.00 0.43 O ATOM 1222 CB ASN A 93 11.566 -22.258 8.888 1.00 0.45 C ATOM 1223 CG ASN A 93 10.810 -23.238 9.793 1.00 0.61 C ATOM 1224 OD1 ASN A 93 10.542 -22.908 11.030 1.00 0.82 O flip ATOM 1225 ND2 ASN A 93 10.452 -24.318 9.367 1.00 0.94 N flip ATOM 0 H ASN A 93 10.843 -20.028 9.415 1.00 0.39 H new ATOM 0 HA ASN A 93 12.675 -21.824 10.700 1.00 0.41 H new ATOM 0 HB2 ASN A 93 10.858 -21.645 8.330 1.00 0.45 H new ATOM 0 HB3 ASN A 93 12.157 -22.808 8.156 1.00 0.45 H new ATOM 0 HD21 ASN A 93 10.659 -24.580 8.403 1.00 0.94 H new ATOM 0 HD22 ASN A 93 9.945 -24.963 9.973 1.00 0.94 H new ATOM 1232 N ILE A 94 13.900 -20.087 8.231 1.00 0.36 N ATOM 1233 CA ILE A 94 15.185 -19.766 7.542 1.00 0.35 C ATOM 1234 C ILE A 94 16.081 -18.941 8.470 1.00 0.34 C ATOM 1235 O ILE A 94 17.279 -19.153 8.519 1.00 0.37 O ATOM 1236 CB ILE A 94 14.847 -18.937 6.293 1.00 0.36 C ATOM 1237 CG1 ILE A 94 13.517 -19.398 5.684 1.00 0.39 C ATOM 1238 CG2 ILE A 94 15.973 -19.108 5.267 1.00 0.38 C ATOM 1239 CD1 ILE A 94 13.377 -18.877 4.249 1.00 0.56 C ATOM 0 H ILE A 94 13.128 -19.452 8.027 1.00 0.36 H new ATOM 0 HA ILE A 94 15.711 -20.682 7.272 1.00 0.35 H new ATOM 0 HB ILE A 94 14.751 -17.888 6.573 1.00 0.36 H new ATOM 0 HG12 ILE A 94 13.465 -20.487 5.689 1.00 0.39 H new ATOM 0 HG13 ILE A 94 12.687 -19.037 6.291 1.00 0.39 H new ATOM 0 HG21 ILE A 94 15.745 -18.524 4.375 1.00 0.38 H new ATOM 0 HG22 ILE A 94 16.913 -18.761 5.697 1.00 0.38 H new ATOM 0 HG23 ILE A 94 16.063 -20.160 4.998 1.00 0.38 H new ATOM 0 HD11 ILE A 94 12.428 -19.213 3.831 1.00 0.56 H new ATOM 0 HD12 ILE A 94 13.406 -17.787 4.253 1.00 0.56 H new ATOM 0 HD13 ILE A 94 14.197 -19.260 3.641 1.00 0.56 H new ATOM 1251 N LEU A 95 15.527 -17.987 9.198 1.00 0.34 N ATOM 1252 CA LEU A 95 16.402 -17.162 10.095 1.00 0.35 C ATOM 1253 C LEU A 95 16.504 -17.783 11.493 1.00 0.38 C ATOM 1254 O LEU A 95 16.995 -17.161 12.416 1.00 0.44 O ATOM 1255 CB LEU A 95 15.779 -15.761 10.149 1.00 0.36 C ATOM 1256 CG LEU A 95 14.319 -15.840 10.584 1.00 0.36 C ATOM 1257 CD1 LEU A 95 14.166 -15.280 11.998 1.00 0.48 C ATOM 1258 CD2 LEU A 95 13.462 -15.014 9.621 1.00 0.43 C ATOM 0 H LEU A 95 14.534 -17.752 9.208 1.00 0.34 H new ATOM 0 HA LEU A 95 17.421 -17.116 9.710 1.00 0.35 H new ATOM 0 HB2 LEU A 95 16.338 -15.135 10.844 1.00 0.36 H new ATOM 0 HB3 LEU A 95 15.847 -15.289 9.169 1.00 0.36 H new ATOM 0 HG LEU A 95 13.996 -16.881 10.572 1.00 0.36 H new ATOM 0 HD11 LEU A 95 13.121 -15.340 12.302 1.00 0.48 H new ATOM 0 HD12 LEU A 95 14.778 -15.861 12.688 1.00 0.48 H new ATOM 0 HD13 LEU A 95 14.490 -14.239 12.014 1.00 0.48 H new ATOM 0 HD21 LEU A 95 12.417 -15.067 9.927 1.00 0.43 H new ATOM 0 HD22 LEU A 95 13.793 -13.976 9.638 1.00 0.43 H new ATOM 0 HD23 LEU A 95 13.565 -15.411 8.611 1.00 0.43 H new ATOM 1270 N ASN A 96 16.073 -19.011 11.647 1.00 0.39 N ATOM 1271 CA ASN A 96 16.176 -19.687 12.978 1.00 0.43 C ATOM 1272 C ASN A 96 17.131 -20.883 12.880 1.00 0.43 C ATOM 1273 O ASN A 96 17.386 -21.566 13.854 1.00 0.49 O ATOM 1274 CB ASN A 96 14.760 -20.157 13.311 1.00 0.48 C ATOM 1275 CG ASN A 96 13.945 -18.977 13.843 1.00 0.59 C ATOM 1276 OD1 ASN A 96 12.714 -18.818 13.446 1.00 0.81 O flip ATOM 1277 ND2 ASN A 96 14.434 -18.190 14.630 1.00 0.64 N flip ATOM 0 H ASN A 96 15.654 -19.575 10.908 1.00 0.39 H new ATOM 0 HA ASN A 96 16.566 -19.022 13.748 1.00 0.43 H new ATOM 0 HB2 ASN A 96 14.284 -20.571 12.422 1.00 0.48 H new ATOM 0 HB3 ASN A 96 14.795 -20.954 14.054 1.00 0.48 H new ATOM 0 HD21 ASN A 96 15.397 -18.313 14.942 1.00 0.64 H new ATOM 0 HD22 ASN A 96 13.881 -17.407 14.978 1.00 0.64 H new ATOM 1738 N PRO B 43 11.905 0.991 11.959 1.00 0.37 N ATOM 1739 CA PRO B 43 11.115 -0.084 11.330 1.00 0.35 C ATOM 1740 C PRO B 43 12.008 -1.276 10.967 1.00 0.32 C ATOM 1741 O PRO B 43 11.732 -2.403 11.332 1.00 0.33 O ATOM 1742 CB PRO B 43 10.573 0.582 10.071 1.00 0.39 C ATOM 1743 CG PRO B 43 11.538 1.684 9.744 1.00 0.42 C ATOM 1744 CD PRO B 43 12.395 1.945 10.961 1.00 0.41 C ATOM 0 HA PRO B 43 10.336 -0.481 11.981 1.00 0.35 H new ATOM 0 HB2 PRO B 43 10.502 -0.132 9.250 1.00 0.39 H new ATOM 0 HB3 PRO B 43 9.571 0.977 10.238 1.00 0.39 H new ATOM 0 HG2 PRO B 43 12.161 1.403 8.895 1.00 0.42 H new ATOM 0 HG3 PRO B 43 10.999 2.588 9.459 1.00 0.42 H new ATOM 0 HD2 PRO B 43 13.452 1.787 10.745 1.00 0.41 H new ATOM 0 HD3 PRO B 43 12.291 2.973 11.308 1.00 0.41 H new ATOM 1752 N LEU B 44 13.069 -1.030 10.236 1.00 0.32 N ATOM 1753 CA LEU B 44 13.989 -2.134 9.818 1.00 0.31 C ATOM 1754 C LEU B 44 13.217 -3.210 9.048 1.00 0.30 C ATOM 1755 O LEU B 44 13.666 -4.331 8.908 1.00 0.34 O ATOM 1756 CB LEU B 44 14.572 -2.706 11.110 1.00 0.32 C ATOM 1757 CG LEU B 44 15.808 -3.543 10.773 1.00 0.32 C ATOM 1758 CD1 LEU B 44 16.951 -2.624 10.336 1.00 0.36 C ATOM 1759 CD2 LEU B 44 16.232 -4.340 12.006 1.00 0.38 C ATOM 0 H LEU B 44 13.339 -0.103 9.908 1.00 0.32 H new ATOM 0 HA LEU B 44 14.775 -1.773 9.155 1.00 0.31 H new ATOM 0 HB2 LEU B 44 14.839 -1.899 11.792 1.00 0.32 H new ATOM 0 HB3 LEU B 44 13.829 -3.320 11.618 1.00 0.32 H new ATOM 0 HG LEU B 44 15.570 -4.229 9.960 1.00 0.32 H new ATOM 0 HD11 LEU B 44 17.829 -3.224 10.097 1.00 0.36 H new ATOM 0 HD12 LEU B 44 16.647 -2.059 9.455 1.00 0.36 H new ATOM 0 HD13 LEU B 44 17.192 -1.934 11.144 1.00 0.36 H new ATOM 0 HD21 LEU B 44 17.112 -4.937 11.768 1.00 0.38 H new ATOM 0 HD22 LEU B 44 16.468 -3.654 12.819 1.00 0.38 H new ATOM 0 HD23 LEU B 44 15.419 -4.998 12.311 1.00 0.38 H new ATOM 1771 N LYS B 45 12.067 -2.868 8.531 1.00 0.29 N ATOM 1772 CA LYS B 45 11.270 -3.859 7.747 1.00 0.29 C ATOM 1773 C LYS B 45 11.596 -3.701 6.262 1.00 0.29 C ATOM 1774 O LYS B 45 11.532 -4.644 5.505 1.00 0.36 O ATOM 1775 CB LYS B 45 9.793 -3.545 8.028 1.00 0.33 C ATOM 1776 CG LYS B 45 9.524 -2.044 7.880 1.00 0.32 C ATOM 1777 CD LYS B 45 8.032 -1.813 7.625 1.00 0.32 C ATOM 1778 CE LYS B 45 7.225 -2.287 8.838 1.00 0.30 C ATOM 1779 NZ LYS B 45 5.986 -1.460 8.826 1.00 0.29 N ATOM 0 H LYS B 45 11.644 -1.944 8.617 1.00 0.29 H new ATOM 0 HA LYS B 45 11.498 -4.888 8.026 1.00 0.29 H new ATOM 0 HB2 LYS B 45 9.159 -4.103 7.339 1.00 0.33 H new ATOM 0 HB3 LYS B 45 9.532 -3.869 9.035 1.00 0.33 H new ATOM 0 HG2 LYS B 45 9.835 -1.518 8.782 1.00 0.32 H new ATOM 0 HG3 LYS B 45 10.111 -1.638 7.056 1.00 0.32 H new ATOM 0 HD2 LYS B 45 7.844 -0.755 7.441 1.00 0.32 H new ATOM 0 HD3 LYS B 45 7.717 -2.353 6.732 1.00 0.32 H new ATOM 0 HE2 LYS B 45 6.991 -3.349 8.765 1.00 0.30 H new ATOM 0 HE3 LYS B 45 7.784 -2.146 9.763 1.00 0.30 H new ATOM 0 HZ1 LYS B 45 5.161 -2.069 8.998 1.00 0.29 H new ATOM 0 HZ2 LYS B 45 6.044 -0.737 9.571 1.00 0.29 H new ATOM 0 HZ3 LYS B 45 5.887 -0.997 7.900 1.00 0.29 H new ATOM 1793 N LEU B 46 11.957 -2.505 5.859 1.00 0.28 N ATOM 1794 CA LEU B 46 12.317 -2.231 4.428 1.00 0.30 C ATOM 1795 C LEU B 46 13.104 -3.403 3.815 1.00 0.29 C ATOM 1796 O LEU B 46 12.885 -3.785 2.677 1.00 0.33 O ATOM 1797 CB LEU B 46 13.214 -0.985 4.498 1.00 0.32 C ATOM 1798 CG LEU B 46 12.662 0.132 3.606 1.00 0.38 C ATOM 1799 CD1 LEU B 46 12.512 -0.367 2.165 1.00 0.48 C ATOM 1800 CD2 LEU B 46 11.303 0.587 4.143 1.00 0.44 C ATOM 0 H LEU B 46 12.019 -1.692 6.472 1.00 0.28 H new ATOM 0 HA LEU B 46 11.432 -2.093 3.806 1.00 0.30 H new ATOM 0 HB2 LEU B 46 13.279 -0.635 5.528 1.00 0.32 H new ATOM 0 HB3 LEU B 46 14.226 -1.241 4.184 1.00 0.32 H new ATOM 0 HG LEU B 46 13.356 0.972 3.614 1.00 0.38 H new ATOM 0 HD11 LEU B 46 12.119 0.436 1.541 1.00 0.48 H new ATOM 0 HD12 LEU B 46 13.485 -0.679 1.785 1.00 0.48 H new ATOM 0 HD13 LEU B 46 11.825 -1.213 2.143 1.00 0.48 H new ATOM 0 HD21 LEU B 46 10.909 1.382 3.509 1.00 0.44 H new ATOM 0 HD22 LEU B 46 10.611 -0.255 4.142 1.00 0.44 H new ATOM 0 HD23 LEU B 46 11.420 0.959 5.161 1.00 0.44 H new ATOM 1812 N PHE B 47 14.015 -3.970 4.568 1.00 0.29 N ATOM 1813 CA PHE B 47 14.830 -5.109 4.049 1.00 0.33 C ATOM 1814 C PHE B 47 13.972 -6.371 3.967 1.00 0.30 C ATOM 1815 O PHE B 47 13.838 -6.971 2.917 1.00 0.34 O ATOM 1816 CB PHE B 47 15.968 -5.267 5.073 1.00 0.38 C ATOM 1817 CG PHE B 47 16.606 -6.639 4.968 1.00 0.35 C ATOM 1818 CD1 PHE B 47 16.741 -7.269 3.723 1.00 0.40 C ATOM 1819 CD2 PHE B 47 17.068 -7.277 6.126 1.00 0.40 C ATOM 1820 CE1 PHE B 47 17.333 -8.534 3.638 1.00 0.47 C ATOM 1821 CE2 PHE B 47 17.661 -8.543 6.040 1.00 0.44 C ATOM 1822 CZ PHE B 47 17.794 -9.171 4.796 1.00 0.47 C ATOM 0 H PHE B 47 14.229 -3.690 5.525 1.00 0.29 H new ATOM 0 HA PHE B 47 15.215 -4.935 3.044 1.00 0.33 H new ATOM 0 HB2 PHE B 47 16.722 -4.498 4.906 1.00 0.38 H new ATOM 0 HB3 PHE B 47 15.579 -5.119 6.080 1.00 0.38 H new ATOM 0 HD1 PHE B 47 16.388 -6.778 2.829 1.00 0.40 H new ATOM 0 HD2 PHE B 47 16.967 -6.792 7.086 1.00 0.40 H new ATOM 0 HE1 PHE B 47 17.434 -9.019 2.678 1.00 0.47 H new ATOM 0 HE2 PHE B 47 18.016 -9.035 6.934 1.00 0.44 H new ATOM 0 HZ PHE B 47 18.252 -10.147 4.730 1.00 0.47 H new ATOM 1832 N MET B 48 13.395 -6.776 5.066 1.00 0.34 N ATOM 1833 CA MET B 48 12.545 -8.001 5.059 1.00 0.36 C ATOM 1834 C MET B 48 11.405 -7.844 4.054 1.00 0.32 C ATOM 1835 O MET B 48 11.138 -8.727 3.270 1.00 0.37 O ATOM 1836 CB MET B 48 11.995 -8.120 6.482 1.00 0.47 C ATOM 1837 CG MET B 48 12.543 -9.391 7.133 1.00 0.64 C ATOM 1838 SD MET B 48 13.406 -8.972 8.666 1.00 0.60 S ATOM 1839 CE MET B 48 14.892 -8.295 7.890 1.00 0.51 C ATOM 0 H MET B 48 13.476 -6.310 5.970 1.00 0.34 H new ATOM 0 HA MET B 48 13.107 -8.889 4.769 1.00 0.36 H new ATOM 0 HB2 MET B 48 12.280 -7.246 7.068 1.00 0.47 H new ATOM 0 HB3 MET B 48 10.906 -8.149 6.462 1.00 0.47 H new ATOM 0 HG2 MET B 48 11.728 -10.084 7.342 1.00 0.64 H new ATOM 0 HG3 MET B 48 13.224 -9.897 6.448 1.00 0.64 H new ATOM 0 HE1 MET B 48 15.760 -8.880 8.194 1.00 0.51 H new ATOM 0 HE2 MET B 48 14.788 -8.337 6.806 1.00 0.51 H new ATOM 0 HE3 MET B 48 15.025 -7.259 8.201 1.00 0.51 H new ATOM 1849 N ALA B 49 10.737 -6.723 4.078 1.00 0.34 N ATOM 1850 CA ALA B 49 9.607 -6.485 3.131 1.00 0.37 C ATOM 1851 C ALA B 49 10.059 -6.700 1.683 1.00 0.34 C ATOM 1852 O ALA B 49 9.396 -7.373 0.915 1.00 0.40 O ATOM 1853 CB ALA B 49 9.208 -5.028 3.359 1.00 0.45 C ATOM 0 H ALA B 49 10.927 -5.953 4.720 1.00 0.34 H new ATOM 0 HA ALA B 49 8.777 -7.171 3.301 1.00 0.37 H new ATOM 0 HB1 ALA B 49 8.380 -4.770 2.699 1.00 0.45 H new ATOM 0 HB2 ALA B 49 8.901 -4.893 4.396 1.00 0.45 H new ATOM 0 HB3 ALA B 49 10.058 -4.380 3.145 1.00 0.45 H new ATOM 1859 N LEU B 50 11.176 -6.131 1.302 1.00 0.30 N ATOM 1860 CA LEU B 50 11.661 -6.303 -0.102 1.00 0.33 C ATOM 1861 C LEU B 50 11.948 -7.780 -0.401 1.00 0.31 C ATOM 1862 O LEU B 50 11.365 -8.362 -1.300 1.00 0.34 O ATOM 1863 CB LEU B 50 12.946 -5.479 -0.189 1.00 0.37 C ATOM 1864 CG LEU B 50 13.116 -4.954 -1.616 1.00 0.48 C ATOM 1865 CD1 LEU B 50 11.977 -3.986 -1.946 1.00 0.89 C ATOM 1866 CD2 LEU B 50 14.454 -4.221 -1.732 1.00 0.51 C ATOM 0 H LEU B 50 11.771 -5.557 1.900 1.00 0.30 H new ATOM 0 HA LEU B 50 10.917 -5.976 -0.829 1.00 0.33 H new ATOM 0 HB2 LEU B 50 12.906 -4.647 0.514 1.00 0.37 H new ATOM 0 HB3 LEU B 50 13.804 -6.091 0.090 1.00 0.37 H new ATOM 0 HG LEU B 50 13.095 -5.791 -2.314 1.00 0.48 H new ATOM 0 HD11 LEU B 50 12.100 -3.613 -2.963 1.00 0.89 H new ATOM 0 HD12 LEU B 50 11.022 -4.505 -1.863 1.00 0.89 H new ATOM 0 HD13 LEU B 50 11.997 -3.149 -1.248 1.00 0.89 H new ATOM 0 HD21 LEU B 50 14.577 -3.846 -2.748 1.00 0.51 H new ATOM 0 HD22 LEU B 50 14.473 -3.385 -1.032 1.00 0.51 H new ATOM 0 HD23 LEU B 50 15.267 -4.908 -1.498 1.00 0.51 H new ATOM 1878 N VAL B 51 12.843 -8.390 0.339 1.00 0.30 N ATOM 1879 CA VAL B 51 13.169 -9.822 0.092 1.00 0.32 C ATOM 1880 C VAL B 51 11.909 -10.685 0.246 1.00 0.32 C ATOM 1881 O VAL B 51 11.707 -11.623 -0.497 1.00 0.38 O ATOM 1882 CB VAL B 51 14.226 -10.170 1.146 1.00 0.35 C ATOM 1883 CG1 VAL B 51 14.506 -11.669 1.122 1.00 0.50 C ATOM 1884 CG2 VAL B 51 15.519 -9.410 0.834 1.00 0.50 C ATOM 0 H VAL B 51 13.360 -7.954 1.103 1.00 0.30 H new ATOM 0 HA VAL B 51 13.539 -10.004 -0.917 1.00 0.32 H new ATOM 0 HB VAL B 51 13.858 -9.888 2.132 1.00 0.35 H new ATOM 0 HG11 VAL B 51 15.258 -11.911 1.873 1.00 0.50 H new ATOM 0 HG12 VAL B 51 13.588 -12.214 1.339 1.00 0.50 H new ATOM 0 HG13 VAL B 51 14.873 -11.955 0.136 1.00 0.50 H new ATOM 0 HG21 VAL B 51 16.274 -9.654 1.581 1.00 0.50 H new ATOM 0 HG22 VAL B 51 15.880 -9.696 -0.154 1.00 0.50 H new ATOM 0 HG23 VAL B 51 15.324 -8.338 0.852 1.00 0.50 H new ATOM 1894 N ALA B 52 11.058 -10.369 1.193 1.00 0.32 N ATOM 1895 CA ALA B 52 9.807 -11.171 1.377 1.00 0.34 C ATOM 1896 C ALA B 52 8.956 -11.094 0.110 1.00 0.32 C ATOM 1897 O ALA B 52 8.472 -12.096 -0.381 1.00 0.34 O ATOM 1898 CB ALA B 52 9.072 -10.533 2.556 1.00 0.39 C ATOM 0 H ALA B 52 11.175 -9.593 1.844 1.00 0.32 H new ATOM 0 HA ALA B 52 10.019 -12.223 1.567 1.00 0.34 H new ATOM 0 HB1 ALA B 52 8.145 -11.075 2.743 1.00 0.39 H new ATOM 0 HB2 ALA B 52 9.703 -10.576 3.444 1.00 0.39 H new ATOM 0 HB3 ALA B 52 8.844 -9.493 2.323 1.00 0.39 H new ATOM 1904 N PHE B 53 8.787 -9.909 -0.431 1.00 0.33 N ATOM 1905 CA PHE B 53 7.986 -9.756 -1.685 1.00 0.34 C ATOM 1906 C PHE B 53 8.549 -10.702 -2.748 1.00 0.32 C ATOM 1907 O PHE B 53 7.863 -11.578 -3.251 1.00 0.35 O ATOM 1908 CB PHE B 53 8.175 -8.291 -2.095 1.00 0.40 C ATOM 1909 CG PHE B 53 7.531 -8.041 -3.440 1.00 0.42 C ATOM 1910 CD1 PHE B 53 6.195 -8.399 -3.657 1.00 0.50 C ATOM 1911 CD2 PHE B 53 8.274 -7.449 -4.468 1.00 0.59 C ATOM 1912 CE1 PHE B 53 5.603 -8.164 -4.904 1.00 0.54 C ATOM 1913 CE2 PHE B 53 7.681 -7.215 -5.714 1.00 0.64 C ATOM 1914 CZ PHE B 53 6.346 -7.572 -5.932 1.00 0.54 C ATOM 0 H PHE B 53 9.171 -9.041 -0.056 1.00 0.33 H new ATOM 0 HA PHE B 53 6.931 -9.998 -1.558 1.00 0.34 H new ATOM 0 HB2 PHE B 53 7.734 -7.635 -1.344 1.00 0.40 H new ATOM 0 HB3 PHE B 53 9.238 -8.052 -2.142 1.00 0.40 H new ATOM 0 HD1 PHE B 53 5.622 -8.856 -2.864 1.00 0.50 H new ATOM 0 HD2 PHE B 53 9.304 -7.173 -4.300 1.00 0.59 H new ATOM 0 HE1 PHE B 53 4.573 -8.440 -5.073 1.00 0.54 H new ATOM 0 HE2 PHE B 53 8.254 -6.759 -6.507 1.00 0.64 H new ATOM 0 HZ PHE B 53 5.889 -7.391 -6.893 1.00 0.54 H new ATOM 1924 N LEU B 54 9.809 -10.555 -3.063 1.00 0.32 N ATOM 1925 CA LEU B 54 10.435 -11.466 -4.062 1.00 0.34 C ATOM 1926 C LEU B 54 10.285 -12.911 -3.575 1.00 0.33 C ATOM 1927 O LEU B 54 10.064 -13.818 -4.352 1.00 0.37 O ATOM 1928 CB LEU B 54 11.908 -11.049 -4.113 1.00 0.37 C ATOM 1929 CG LEU B 54 12.094 -9.903 -5.114 1.00 0.41 C ATOM 1930 CD1 LEU B 54 11.695 -10.371 -6.515 1.00 0.48 C ATOM 1931 CD2 LEU B 54 11.217 -8.715 -4.706 1.00 0.44 C ATOM 0 H LEU B 54 10.429 -9.845 -2.672 1.00 0.32 H new ATOM 0 HA LEU B 54 9.977 -11.405 -5.049 1.00 0.34 H new ATOM 0 HB2 LEU B 54 12.240 -10.736 -3.123 1.00 0.37 H new ATOM 0 HB3 LEU B 54 12.525 -11.899 -4.402 1.00 0.37 H new ATOM 0 HG LEU B 54 13.141 -9.598 -5.118 1.00 0.41 H new ATOM 0 HD11 LEU B 54 11.829 -9.554 -7.223 1.00 0.48 H new ATOM 0 HD12 LEU B 54 12.322 -11.213 -6.810 1.00 0.48 H new ATOM 0 HD13 LEU B 54 10.650 -10.681 -6.511 1.00 0.48 H new ATOM 0 HD21 LEU B 54 11.351 -7.902 -5.419 1.00 0.44 H new ATOM 0 HD22 LEU B 54 10.171 -9.021 -4.697 1.00 0.44 H new ATOM 0 HD23 LEU B 54 11.504 -8.376 -3.711 1.00 0.44 H new ATOM 1943 N ARG B 55 10.379 -13.117 -2.281 1.00 0.32 N ATOM 1944 CA ARG B 55 10.224 -14.493 -1.717 1.00 0.33 C ATOM 1945 C ARG B 55 8.770 -14.958 -1.844 1.00 0.32 C ATOM 1946 O ARG B 55 8.463 -16.121 -1.669 1.00 0.39 O ATOM 1947 CB ARG B 55 10.624 -14.375 -0.244 1.00 0.36 C ATOM 1948 CG ARG B 55 10.791 -15.774 0.357 1.00 0.48 C ATOM 1949 CD ARG B 55 9.540 -16.143 1.158 1.00 0.58 C ATOM 1950 NE ARG B 55 9.574 -17.629 1.258 1.00 0.59 N ATOM 1951 CZ ARG B 55 8.499 -18.325 1.011 1.00 0.46 C ATOM 1952 NH1 ARG B 55 7.969 -18.307 -0.182 1.00 0.41 N ATOM 1953 NH2 ARG B 55 7.953 -19.041 1.956 1.00 0.55 N ATOM 0 H ARG B 55 10.557 -12.387 -1.591 1.00 0.32 H new ATOM 0 HA ARG B 55 10.838 -15.222 -2.245 1.00 0.33 H new ATOM 0 HB2 ARG B 55 11.555 -13.816 -0.153 1.00 0.36 H new ATOM 0 HB3 ARG B 55 9.864 -13.820 0.306 1.00 0.36 H new ATOM 0 HG2 ARG B 55 10.956 -16.504 -0.436 1.00 0.48 H new ATOM 0 HG3 ARG B 55 11.669 -15.801 1.002 1.00 0.48 H new ATOM 0 HD2 ARG B 55 9.552 -15.680 2.145 1.00 0.58 H new ATOM 0 HD3 ARG B 55 8.635 -15.801 0.656 1.00 0.58 H new ATOM 0 HE ARG B 55 10.439 -18.102 1.520 1.00 0.59 H new ATOM 0 HH11 ARG B 55 8.396 -17.749 -0.921 1.00 0.41 H new ATOM 0 HH12 ARG B 55 7.128 -18.851 -0.375 1.00 0.41 H new ATOM 0 HH21 ARG B 55 8.367 -19.056 2.888 1.00 0.55 H new ATOM 0 HH22 ARG B 55 7.112 -19.585 1.762 1.00 0.55 H new ATOM 1967 N PHE B 56 7.871 -14.061 -2.156 1.00 0.31 N ATOM 1968 CA PHE B 56 6.444 -14.460 -2.307 1.00 0.31 C ATOM 1969 C PHE B 56 6.136 -14.742 -3.778 1.00 0.33 C ATOM 1970 O PHE B 56 5.168 -15.406 -4.097 1.00 0.34 O ATOM 1971 CB PHE B 56 5.627 -13.259 -1.824 1.00 0.34 C ATOM 1972 CG PHE B 56 5.779 -13.052 -0.326 1.00 0.31 C ATOM 1973 CD1 PHE B 56 6.515 -13.951 0.468 1.00 0.43 C ATOM 1974 CD2 PHE B 56 5.168 -11.941 0.269 1.00 0.37 C ATOM 1975 CE1 PHE B 56 6.633 -13.732 1.846 1.00 0.48 C ATOM 1976 CE2 PHE B 56 5.288 -11.726 1.647 1.00 0.44 C ATOM 1977 CZ PHE B 56 6.020 -12.620 2.435 1.00 0.46 C ATOM 0 H PHE B 56 8.065 -13.072 -2.312 1.00 0.31 H new ATOM 0 HA PHE B 56 6.212 -15.362 -1.741 1.00 0.31 H new ATOM 0 HB2 PHE B 56 5.950 -12.361 -2.352 1.00 0.34 H new ATOM 0 HB3 PHE B 56 4.575 -13.411 -2.067 1.00 0.34 H new ATOM 0 HD1 PHE B 56 6.989 -14.809 0.015 1.00 0.43 H new ATOM 0 HD2 PHE B 56 4.603 -11.248 -0.337 1.00 0.37 H new ATOM 0 HE1 PHE B 56 7.198 -14.422 2.455 1.00 0.48 H new ATOM 0 HE2 PHE B 56 4.815 -10.869 2.102 1.00 0.44 H new ATOM 0 HZ PHE B 56 6.112 -12.452 3.498 1.00 0.46 H new ATOM 1987 N LEU B 57 6.935 -14.218 -4.679 1.00 0.34 N ATOM 1988 CA LEU B 57 6.660 -14.435 -6.134 1.00 0.38 C ATOM 1989 C LEU B 57 7.632 -15.445 -6.766 1.00 0.43 C ATOM 1990 O LEU B 57 7.235 -16.244 -7.594 1.00 0.53 O ATOM 1991 CB LEU B 57 6.831 -13.057 -6.781 1.00 0.42 C ATOM 1992 CG LEU B 57 6.125 -11.989 -5.934 1.00 0.38 C ATOM 1993 CD1 LEU B 57 6.235 -10.627 -6.626 1.00 0.49 C ATOM 1994 CD2 LEU B 57 4.647 -12.359 -5.752 1.00 0.44 C ATOM 0 H LEU B 57 7.759 -13.654 -4.471 1.00 0.34 H new ATOM 0 HA LEU B 57 5.664 -14.851 -6.283 1.00 0.38 H new ATOM 0 HB2 LEU B 57 7.891 -12.818 -6.873 1.00 0.42 H new ATOM 0 HB3 LEU B 57 6.417 -13.066 -7.789 1.00 0.42 H new ATOM 0 HG LEU B 57 6.602 -11.936 -4.955 1.00 0.38 H new ATOM 0 HD11 LEU B 57 5.733 -9.871 -6.023 1.00 0.49 H new ATOM 0 HD12 LEU B 57 7.286 -10.361 -6.741 1.00 0.49 H new ATOM 0 HD13 LEU B 57 5.765 -10.679 -7.608 1.00 0.49 H new ATOM 0 HD21 LEU B 57 4.153 -11.597 -5.150 1.00 0.44 H new ATOM 0 HD22 LEU B 57 4.165 -12.420 -6.727 1.00 0.44 H new ATOM 0 HD23 LEU B 57 4.573 -13.323 -5.249 1.00 0.44 H new ATOM 2006 N THR B 58 8.897 -15.408 -6.416 1.00 0.43 N ATOM 2007 CA THR B 58 9.865 -16.365 -7.046 1.00 0.51 C ATOM 2008 C THR B 58 10.974 -16.804 -6.074 1.00 0.47 C ATOM 2009 O THR B 58 11.746 -17.693 -6.379 1.00 0.53 O ATOM 2010 CB THR B 58 10.464 -15.581 -8.213 1.00 0.58 C ATOM 2011 OG1 THR B 58 9.422 -15.161 -9.083 1.00 0.93 O ATOM 2012 CG2 THR B 58 11.442 -16.469 -8.977 1.00 0.92 C ATOM 0 H THR B 58 9.297 -14.767 -5.731 1.00 0.43 H new ATOM 0 HA THR B 58 9.368 -17.286 -7.352 1.00 0.51 H new ATOM 0 HB THR B 58 10.993 -14.708 -7.831 1.00 0.58 H new ATOM 0 HG1 THR B 58 9.804 -14.657 -9.831 1.00 0.93 H new ATOM 0 HG21 THR B 58 11.868 -15.909 -9.809 1.00 0.92 H new ATOM 0 HG22 THR B 58 12.241 -16.790 -8.308 1.00 0.92 H new ATOM 0 HG23 THR B 58 10.916 -17.344 -9.360 1.00 0.92 H new ATOM 2020 N ILE B 59 11.061 -16.193 -4.919 1.00 0.41 N ATOM 2021 CA ILE B 59 12.118 -16.571 -3.927 1.00 0.39 C ATOM 2022 C ILE B 59 13.525 -16.535 -4.557 1.00 0.41 C ATOM 2023 O ILE B 59 14.222 -17.532 -4.570 1.00 0.45 O ATOM 2024 CB ILE B 59 11.755 -17.988 -3.469 1.00 0.43 C ATOM 2025 CG1 ILE B 59 10.388 -17.969 -2.782 1.00 0.42 C ATOM 2026 CG2 ILE B 59 12.810 -18.493 -2.474 1.00 0.45 C ATOM 2027 CD1 ILE B 59 9.278 -18.028 -3.835 1.00 0.45 C ATOM 0 H ILE B 59 10.440 -15.442 -4.617 1.00 0.41 H new ATOM 0 HA ILE B 59 12.150 -15.870 -3.093 1.00 0.39 H new ATOM 0 HB ILE B 59 11.722 -18.648 -4.336 1.00 0.43 H new ATOM 0 HG12 ILE B 59 10.301 -18.816 -2.101 1.00 0.42 H new ATOM 0 HG13 ILE B 59 10.285 -17.065 -2.182 1.00 0.42 H new ATOM 0 HG21 ILE B 59 12.551 -19.501 -2.149 1.00 0.45 H new ATOM 0 HG22 ILE B 59 13.787 -18.507 -2.956 1.00 0.45 H new ATOM 0 HG23 ILE B 59 12.842 -17.830 -1.609 1.00 0.45 H new ATOM 0 HD11 ILE B 59 8.307 -18.014 -3.341 1.00 0.45 H new ATOM 0 HD12 ILE B 59 9.360 -17.167 -4.499 1.00 0.45 H new ATOM 0 HD13 ILE B 59 9.376 -18.945 -4.416 1.00 0.45 H new ATOM 2039 N PRO B 60 13.904 -15.377 -5.043 1.00 0.41 N ATOM 2040 CA PRO B 60 15.233 -15.170 -5.641 1.00 0.45 C ATOM 2041 C PRO B 60 16.131 -14.377 -4.661 1.00 0.41 C ATOM 2042 O PRO B 60 16.491 -13.248 -4.944 1.00 0.46 O ATOM 2043 CB PRO B 60 14.885 -14.297 -6.847 1.00 0.53 C ATOM 2044 CG PRO B 60 13.605 -13.585 -6.466 1.00 0.51 C ATOM 2045 CD PRO B 60 13.143 -14.146 -5.136 1.00 0.42 C ATOM 0 HA PRO B 60 15.769 -16.087 -5.885 1.00 0.45 H new ATOM 0 HB2 PRO B 60 15.682 -13.585 -7.061 1.00 0.53 H new ATOM 0 HB3 PRO B 60 14.748 -14.901 -7.744 1.00 0.53 H new ATOM 0 HG2 PRO B 60 13.773 -12.511 -6.390 1.00 0.51 H new ATOM 0 HG3 PRO B 60 12.842 -13.735 -7.230 1.00 0.51 H new ATOM 0 HD2 PRO B 60 13.361 -13.469 -4.310 1.00 0.42 H new ATOM 0 HD3 PRO B 60 12.069 -14.329 -5.122 1.00 0.42 H new ATOM 2053 N PRO B 61 16.457 -14.968 -3.530 1.00 0.38 N ATOM 2054 CA PRO B 61 17.296 -14.257 -2.533 1.00 0.38 C ATOM 2055 C PRO B 61 18.720 -14.082 -3.062 1.00 0.40 C ATOM 2056 O PRO B 61 19.477 -15.030 -3.161 1.00 0.46 O ATOM 2057 CB PRO B 61 17.269 -15.171 -1.313 1.00 0.39 C ATOM 2058 CG PRO B 61 16.974 -16.524 -1.861 1.00 0.41 C ATOM 2059 CD PRO B 61 16.101 -16.316 -3.071 1.00 0.41 C ATOM 0 HA PRO B 61 16.934 -13.254 -2.307 1.00 0.38 H new ATOM 0 HB2 PRO B 61 18.223 -15.157 -0.786 1.00 0.39 H new ATOM 0 HB3 PRO B 61 16.506 -14.858 -0.600 1.00 0.39 H new ATOM 0 HG2 PRO B 61 17.894 -17.042 -2.131 1.00 0.41 H new ATOM 0 HG3 PRO B 61 16.467 -17.141 -1.119 1.00 0.41 H new ATOM 0 HD2 PRO B 61 16.296 -17.065 -3.839 1.00 0.41 H new ATOM 0 HD3 PRO B 61 15.043 -16.386 -2.818 1.00 0.41 H new ATOM 2067 N THR B 62 19.084 -12.873 -3.407 1.00 0.39 N ATOM 2068 CA THR B 62 20.457 -12.617 -3.937 1.00 0.42 C ATOM 2069 C THR B 62 21.510 -13.069 -2.913 1.00 0.41 C ATOM 2070 O THR B 62 21.184 -13.422 -1.797 1.00 0.41 O ATOM 2071 CB THR B 62 20.504 -11.098 -4.190 1.00 0.46 C ATOM 2072 OG1 THR B 62 20.983 -10.859 -5.504 1.00 0.50 O ATOM 2073 CG2 THR B 62 21.424 -10.405 -3.184 1.00 0.53 C ATOM 0 H THR B 62 18.486 -12.049 -3.344 1.00 0.39 H new ATOM 0 HA THR B 62 20.674 -13.172 -4.850 1.00 0.42 H new ATOM 0 HB THR B 62 19.498 -10.695 -4.075 1.00 0.46 H new ATOM 0 HG1 THR B 62 21.013 -9.894 -5.671 1.00 0.50 H new ATOM 0 HG21 THR B 62 21.440 -9.334 -3.384 1.00 0.53 H new ATOM 0 HG22 THR B 62 21.056 -10.580 -2.173 1.00 0.53 H new ATOM 0 HG23 THR B 62 22.433 -10.807 -3.277 1.00 0.53 H new ATOM 2081 N ALA B 63 22.763 -13.070 -3.297 1.00 0.44 N ATOM 2082 CA ALA B 63 23.854 -13.512 -2.368 1.00 0.45 C ATOM 2083 C ALA B 63 23.787 -12.767 -1.028 1.00 0.41 C ATOM 2084 O ALA B 63 23.860 -13.369 0.027 1.00 0.42 O ATOM 2085 CB ALA B 63 25.153 -13.172 -3.099 1.00 0.53 C ATOM 0 H ALA B 63 23.081 -12.781 -4.222 1.00 0.44 H new ATOM 0 HA ALA B 63 23.771 -14.573 -2.131 1.00 0.45 H new ATOM 0 HB1 ALA B 63 26.004 -13.465 -2.484 1.00 0.53 H new ATOM 0 HB2 ALA B 63 25.188 -13.709 -4.047 1.00 0.53 H new ATOM 0 HB3 ALA B 63 25.194 -12.099 -3.288 1.00 0.53 H new ATOM 2091 N GLY B 64 23.664 -11.464 -1.068 1.00 0.42 N ATOM 2092 CA GLY B 64 23.606 -10.663 0.193 1.00 0.40 C ATOM 2093 C GLY B 64 22.501 -11.186 1.117 1.00 0.35 C ATOM 2094 O GLY B 64 22.707 -11.343 2.300 1.00 0.36 O ATOM 0 H GLY B 64 23.601 -10.917 -1.927 1.00 0.42 H new ATOM 0 HA2 GLY B 64 24.567 -10.711 0.704 1.00 0.40 H new ATOM 0 HA3 GLY B 64 23.423 -9.615 -0.044 1.00 0.40 H new ATOM 2098 N ILE B 65 21.332 -11.443 0.589 1.00 0.34 N ATOM 2099 CA ILE B 65 20.202 -11.944 1.437 1.00 0.31 C ATOM 2100 C ILE B 65 20.647 -13.124 2.308 1.00 0.30 C ATOM 2101 O ILE B 65 20.325 -13.185 3.478 1.00 0.34 O ATOM 2102 CB ILE B 65 19.113 -12.385 0.449 1.00 0.31 C ATOM 2103 CG1 ILE B 65 18.744 -11.230 -0.496 1.00 0.35 C ATOM 2104 CG2 ILE B 65 17.864 -12.813 1.224 1.00 0.33 C ATOM 2105 CD1 ILE B 65 18.701 -9.909 0.277 1.00 0.37 C ATOM 0 H ILE B 65 21.108 -11.327 -0.399 1.00 0.34 H new ATOM 0 HA ILE B 65 19.845 -11.173 2.120 1.00 0.31 H new ATOM 0 HB ILE B 65 19.494 -13.220 -0.139 1.00 0.31 H new ATOM 0 HG12 ILE B 65 19.473 -11.164 -1.304 1.00 0.35 H new ATOM 0 HG13 ILE B 65 17.775 -11.422 -0.956 1.00 0.35 H new ATOM 0 HG21 ILE B 65 17.090 -13.126 0.523 1.00 0.33 H new ATOM 0 HG22 ILE B 65 18.113 -13.643 1.885 1.00 0.33 H new ATOM 0 HG23 ILE B 65 17.498 -11.974 1.817 1.00 0.33 H new ATOM 0 HD11 ILE B 65 18.439 -9.098 -0.403 1.00 0.37 H new ATOM 0 HD12 ILE B 65 17.955 -9.975 1.069 1.00 0.37 H new ATOM 0 HD13 ILE B 65 19.679 -9.712 0.716 1.00 0.37 H new ATOM 2117 N LEU B 66 21.385 -14.054 1.753 1.00 0.33 N ATOM 2118 CA LEU B 66 21.843 -15.226 2.563 1.00 0.36 C ATOM 2119 C LEU B 66 23.011 -14.828 3.470 1.00 0.37 C ATOM 2120 O LEU B 66 22.965 -15.023 4.670 1.00 0.42 O ATOM 2121 CB LEU B 66 22.301 -16.286 1.549 1.00 0.44 C ATOM 2122 CG LEU B 66 21.116 -16.823 0.725 1.00 0.51 C ATOM 2123 CD1 LEU B 66 19.838 -16.873 1.572 1.00 0.72 C ATOM 2124 CD2 LEU B 66 20.893 -15.918 -0.488 1.00 0.51 C ATOM 0 H LEU B 66 21.689 -14.053 0.779 1.00 0.33 H new ATOM 0 HA LEU B 66 21.046 -15.599 3.206 1.00 0.36 H new ATOM 0 HB2 LEU B 66 23.046 -15.854 0.880 1.00 0.44 H new ATOM 0 HB3 LEU B 66 22.784 -17.110 2.074 1.00 0.44 H new ATOM 0 HG LEU B 66 21.350 -17.836 0.397 1.00 0.51 H new ATOM 0 HD11 LEU B 66 19.016 -17.256 0.968 1.00 0.72 H new ATOM 0 HD12 LEU B 66 19.995 -17.529 2.428 1.00 0.72 H new ATOM 0 HD13 LEU B 66 19.594 -15.870 1.923 1.00 0.72 H new ATOM 0 HD21 LEU B 66 20.055 -16.295 -1.074 1.00 0.51 H new ATOM 0 HD22 LEU B 66 20.674 -14.905 -0.151 1.00 0.51 H new ATOM 0 HD23 LEU B 66 21.792 -15.908 -1.105 1.00 0.51 H new ATOM 2136 N LYS B 67 24.058 -14.278 2.903 1.00 0.38 N ATOM 2137 CA LYS B 67 25.239 -13.870 3.729 1.00 0.45 C ATOM 2138 C LYS B 67 24.801 -12.921 4.847 1.00 0.38 C ATOM 2139 O LYS B 67 25.309 -12.975 5.952 1.00 0.45 O ATOM 2140 CB LYS B 67 26.182 -13.160 2.756 1.00 0.57 C ATOM 2141 CG LYS B 67 26.843 -14.193 1.840 1.00 0.63 C ATOM 2142 CD LYS B 67 27.929 -14.945 2.614 1.00 0.91 C ATOM 2143 CE LYS B 67 29.164 -14.053 2.761 1.00 1.27 C ATOM 2144 NZ LYS B 67 30.013 -14.738 3.776 1.00 1.80 N ATOM 0 H LYS B 67 24.146 -14.094 1.904 1.00 0.38 H new ATOM 0 HA LYS B 67 25.720 -14.722 4.209 1.00 0.45 H new ATOM 0 HB2 LYS B 67 25.629 -12.433 2.162 1.00 0.57 H new ATOM 0 HB3 LYS B 67 26.943 -12.608 3.308 1.00 0.57 H new ATOM 0 HG2 LYS B 67 26.096 -14.894 1.467 1.00 0.63 H new ATOM 0 HG3 LYS B 67 27.278 -13.698 0.971 1.00 0.63 H new ATOM 0 HD2 LYS B 67 27.556 -15.233 3.597 1.00 0.91 H new ATOM 0 HD3 LYS B 67 28.192 -15.865 2.091 1.00 0.91 H new ATOM 0 HE2 LYS B 67 29.690 -13.947 1.812 1.00 1.27 H new ATOM 0 HE3 LYS B 67 28.890 -13.050 3.087 1.00 1.27 H new ATOM 0 HZ1 LYS B 67 30.881 -14.186 3.932 1.00 1.80 H new ATOM 0 HZ2 LYS B 67 29.488 -14.818 4.670 1.00 1.80 H new ATOM 0 HZ3 LYS B 67 30.263 -15.688 3.435 1.00 1.80 H new ATOM 2158 N ARG B 68 23.855 -12.062 4.568 1.00 0.30 N ATOM 2159 CA ARG B 68 23.367 -11.115 5.610 1.00 0.27 C ATOM 2160 C ARG B 68 22.364 -11.832 6.525 1.00 0.26 C ATOM 2161 O ARG B 68 22.172 -11.460 7.666 1.00 0.32 O ATOM 2162 CB ARG B 68 22.721 -9.955 4.830 1.00 0.29 C ATOM 2163 CG ARG B 68 21.211 -10.167 4.677 1.00 0.31 C ATOM 2164 CD ARG B 68 20.671 -9.223 3.597 1.00 0.38 C ATOM 2165 NE ARG B 68 20.532 -7.900 4.271 1.00 0.42 N ATOM 2166 CZ ARG B 68 21.593 -7.191 4.548 1.00 0.44 C ATOM 2167 NH1 ARG B 68 22.546 -7.066 3.664 1.00 0.50 N ATOM 2168 NH2 ARG B 68 21.701 -6.605 5.709 1.00 0.58 N ATOM 0 H ARG B 68 23.399 -11.977 3.660 1.00 0.30 H new ATOM 0 HA ARG B 68 24.160 -10.743 6.259 1.00 0.27 H new ATOM 0 HB2 ARG B 68 22.909 -9.015 5.349 1.00 0.29 H new ATOM 0 HB3 ARG B 68 23.182 -9.874 3.845 1.00 0.29 H new ATOM 0 HG2 ARG B 68 21.004 -11.203 4.407 1.00 0.31 H new ATOM 0 HG3 ARG B 68 20.708 -9.978 5.625 1.00 0.31 H new ATOM 0 HD2 ARG B 68 21.353 -9.163 2.749 1.00 0.38 H new ATOM 0 HD3 ARG B 68 19.713 -9.572 3.212 1.00 0.38 H new ATOM 0 HE ARG B 68 19.606 -7.548 4.516 1.00 0.42 H new ATOM 0 HH11 ARG B 68 22.462 -7.522 2.756 1.00 0.50 H new ATOM 0 HH12 ARG B 68 23.374 -6.512 3.882 1.00 0.50 H new ATOM 0 HH21 ARG B 68 20.957 -6.701 6.400 1.00 0.58 H new ATOM 0 HH22 ARG B 68 22.530 -6.051 5.926 1.00 0.58 H new ATOM 2182 N TRP B 69 21.736 -12.865 6.021 1.00 0.25 N ATOM 2183 CA TRP B 69 20.746 -13.641 6.831 1.00 0.26 C ATOM 2184 C TRP B 69 21.360 -14.110 8.156 1.00 0.34 C ATOM 2185 O TRP B 69 20.697 -14.138 9.176 1.00 0.43 O ATOM 2186 CB TRP B 69 20.429 -14.856 5.963 1.00 0.28 C ATOM 2187 CG TRP B 69 19.026 -15.315 6.188 1.00 0.28 C ATOM 2188 CD1 TRP B 69 18.688 -16.565 6.572 1.00 0.33 C ATOM 2189 CD2 TRP B 69 17.772 -14.579 6.039 1.00 0.29 C ATOM 2190 NE1 TRP B 69 17.315 -16.647 6.664 1.00 0.36 N ATOM 2191 CE2 TRP B 69 16.705 -15.457 6.346 1.00 0.34 C ATOM 2192 CE3 TRP B 69 17.451 -13.255 5.671 1.00 0.31 C ATOM 2193 CZ2 TRP B 69 15.377 -15.047 6.288 1.00 0.39 C ATOM 2194 CZ3 TRP B 69 16.111 -12.843 5.614 1.00 0.37 C ATOM 2195 CH2 TRP B 69 15.079 -13.740 5.920 1.00 0.40 C ATOM 0 H TRP B 69 21.869 -13.208 5.070 1.00 0.25 H new ATOM 0 HA TRP B 69 19.870 -13.043 7.083 1.00 0.26 H new ATOM 0 HB2 TRP B 69 20.570 -14.605 4.912 1.00 0.28 H new ATOM 0 HB3 TRP B 69 21.123 -15.665 6.194 1.00 0.28 H new ATOM 0 HD1 TRP B 69 19.380 -17.369 6.774 1.00 0.33 H new ATOM 0 HE1 TRP B 69 16.811 -17.491 6.936 1.00 0.36 H new ATOM 0 HE3 TRP B 69 18.239 -12.557 5.432 1.00 0.31 H new ATOM 0 HZ2 TRP B 69 14.583 -15.739 6.527 1.00 0.39 H new ATOM 0 HZ3 TRP B 69 15.873 -11.828 5.332 1.00 0.37 H new ATOM 0 HH2 TRP B 69 14.050 -13.415 5.870 1.00 0.40 H new ATOM 2206 N GLY B 70 22.611 -14.506 8.139 1.00 0.36 N ATOM 2207 CA GLY B 70 23.262 -15.007 9.389 1.00 0.46 C ATOM 2208 C GLY B 70 24.335 -14.030 9.872 1.00 0.44 C ATOM 2209 O GLY B 70 25.439 -14.426 10.195 1.00 0.56 O ATOM 0 H GLY B 70 23.209 -14.503 7.312 1.00 0.36 H new ATOM 0 HA2 GLY B 70 22.510 -15.142 10.167 1.00 0.46 H new ATOM 0 HA3 GLY B 70 23.709 -15.984 9.205 1.00 0.46 H new ATOM 2213 N THR B 71 24.018 -12.764 9.941 1.00 0.35 N ATOM 2214 CA THR B 71 25.020 -11.767 10.425 1.00 0.36 C ATOM 2215 C THR B 71 24.322 -10.455 10.799 1.00 0.34 C ATOM 2216 O THR B 71 24.919 -9.395 10.764 1.00 0.40 O ATOM 2217 CB THR B 71 25.997 -11.570 9.258 1.00 0.41 C ATOM 2218 OG1 THR B 71 27.219 -11.045 9.755 1.00 0.46 O ATOM 2219 CG2 THR B 71 25.409 -10.602 8.230 1.00 0.45 C ATOM 0 H THR B 71 23.110 -12.377 9.684 1.00 0.35 H new ATOM 0 HA THR B 71 25.542 -12.105 11.320 1.00 0.36 H new ATOM 0 HB THR B 71 26.173 -12.532 8.776 1.00 0.41 H new ATOM 0 HG1 THR B 71 27.033 -10.281 10.340 1.00 0.46 H new ATOM 0 HG21 THR B 71 26.113 -10.472 7.408 1.00 0.45 H new ATOM 0 HG22 THR B 71 24.472 -11.005 7.845 1.00 0.45 H new ATOM 0 HG23 THR B 71 25.222 -9.638 8.703 1.00 0.45 H new ATOM 2227 N ILE B 72 23.065 -10.526 11.160 1.00 0.34 N ATOM 2228 CA ILE B 72 22.317 -9.294 11.545 1.00 0.34 C ATOM 2229 C ILE B 72 21.926 -9.367 13.029 1.00 0.34 C ATOM 2230 O ILE B 72 22.767 -9.590 13.880 1.00 0.40 O ATOM 2231 CB ILE B 72 21.089 -9.269 10.627 1.00 0.33 C ATOM 2232 CG1 ILE B 72 20.276 -10.553 10.809 1.00 0.35 C ATOM 2233 CG2 ILE B 72 21.543 -9.160 9.171 1.00 0.38 C ATOM 2234 CD1 ILE B 72 18.793 -10.252 10.578 1.00 0.33 C ATOM 0 H ILE B 72 22.524 -11.389 11.204 1.00 0.34 H new ATOM 0 HA ILE B 72 22.905 -8.384 11.429 1.00 0.34 H new ATOM 0 HB ILE B 72 20.468 -8.410 10.884 1.00 0.33 H new ATOM 0 HG12 ILE B 72 20.617 -11.315 10.108 1.00 0.35 H new ATOM 0 HG13 ILE B 72 20.426 -10.952 11.812 1.00 0.35 H new ATOM 0 HG21 ILE B 72 20.670 -9.142 8.518 1.00 0.38 H new ATOM 0 HG22 ILE B 72 22.116 -8.242 9.036 1.00 0.38 H new ATOM 0 HG23 ILE B 72 22.167 -10.018 8.919 1.00 0.38 H new ATOM 0 HD11 ILE B 72 18.212 -11.165 10.707 1.00 0.33 H new ATOM 0 HD12 ILE B 72 18.457 -9.504 11.296 1.00 0.33 H new ATOM 0 HD13 ILE B 72 18.652 -9.872 9.566 1.00 0.33 H new ATOM 2246 N LYS B 73 20.671 -9.168 13.351 1.00 0.35 N ATOM 2247 CA LYS B 73 20.245 -9.210 14.782 1.00 0.37 C ATOM 2248 C LYS B 73 19.255 -10.344 15.033 1.00 0.34 C ATOM 2249 O LYS B 73 19.245 -10.939 16.092 1.00 0.38 O ATOM 2250 CB LYS B 73 19.561 -7.864 15.010 1.00 0.40 C ATOM 2251 CG LYS B 73 19.087 -7.765 16.457 1.00 0.40 C ATOM 2252 CD LYS B 73 20.110 -6.980 17.285 1.00 0.49 C ATOM 2253 CE LYS B 73 20.458 -7.767 18.551 1.00 0.52 C ATOM 2254 NZ LYS B 73 19.238 -7.689 19.401 1.00 0.55 N ATOM 0 H LYS B 73 19.924 -8.978 12.683 1.00 0.35 H new ATOM 0 HA LYS B 73 21.088 -9.383 15.451 1.00 0.37 H new ATOM 0 HB2 LYS B 73 20.253 -7.052 14.788 1.00 0.40 H new ATOM 0 HB3 LYS B 73 18.714 -7.756 14.332 1.00 0.40 H new ATOM 0 HG2 LYS B 73 18.116 -7.271 16.498 1.00 0.40 H new ATOM 0 HG3 LYS B 73 18.955 -8.763 16.875 1.00 0.40 H new ATOM 0 HD2 LYS B 73 21.010 -6.802 16.696 1.00 0.49 H new ATOM 0 HD3 LYS B 73 19.705 -6.004 17.551 1.00 0.49 H new ATOM 0 HE2 LYS B 73 20.710 -8.801 18.316 1.00 0.52 H new ATOM 0 HE3 LYS B 73 21.321 -7.336 19.059 1.00 0.52 H new ATOM 0 HZ1 LYS B 73 19.448 -8.072 20.345 1.00 0.55 H new ATOM 0 HZ2 LYS B 73 18.938 -6.697 19.488 1.00 0.55 H new ATOM 0 HZ3 LYS B 73 18.475 -8.244 18.964 1.00 0.55 H new ATOM 2268 N LYS B 74 18.409 -10.612 14.075 1.00 0.32 N ATOM 2269 CA LYS B 74 17.363 -11.678 14.210 1.00 0.31 C ATOM 2270 C LYS B 74 16.262 -11.219 15.168 1.00 0.32 C ATOM 2271 O LYS B 74 15.091 -11.333 14.867 1.00 0.34 O ATOM 2272 CB LYS B 74 18.037 -12.950 14.753 1.00 0.33 C ATOM 2273 CG LYS B 74 19.363 -13.224 14.044 1.00 0.34 C ATOM 2274 CD LYS B 74 19.224 -13.009 12.532 1.00 0.32 C ATOM 2275 CE LYS B 74 18.203 -13.996 11.959 1.00 0.34 C ATOM 2276 NZ LYS B 74 18.341 -13.892 10.475 1.00 0.37 N ATOM 0 H LYS B 74 18.396 -10.125 13.179 1.00 0.32 H new ATOM 0 HA LYS B 74 16.909 -11.879 13.240 1.00 0.31 H new ATOM 0 HB2 LYS B 74 18.210 -12.843 15.824 1.00 0.33 H new ATOM 0 HB3 LYS B 74 17.370 -13.802 14.622 1.00 0.33 H new ATOM 0 HG2 LYS B 74 20.136 -12.565 14.440 1.00 0.34 H new ATOM 0 HG3 LYS B 74 19.683 -14.247 14.243 1.00 0.34 H new ATOM 0 HD2 LYS B 74 18.908 -11.986 12.329 1.00 0.32 H new ATOM 0 HD3 LYS B 74 20.190 -13.147 12.046 1.00 0.32 H new ATOM 0 HE2 LYS B 74 18.403 -15.011 12.302 1.00 0.34 H new ATOM 0 HE3 LYS B 74 17.192 -13.745 12.278 1.00 0.34 H new ATOM 0 HZ1 LYS B 74 18.120 -14.811 10.041 1.00 0.37 H new ATOM 0 HZ2 LYS B 74 17.684 -13.171 10.115 1.00 0.37 H new ATOM 0 HZ3 LYS B 74 19.316 -13.622 10.235 1.00 0.37 H new ATOM 2290 N SER B 75 16.623 -10.691 16.313 1.00 0.33 N ATOM 2291 CA SER B 75 15.586 -10.221 17.278 1.00 0.34 C ATOM 2292 C SER B 75 14.730 -9.151 16.609 1.00 0.32 C ATOM 2293 O SER B 75 13.526 -9.114 16.767 1.00 0.36 O ATOM 2294 CB SER B 75 16.364 -9.644 18.465 1.00 0.38 C ATOM 2295 OG SER B 75 16.895 -8.371 18.116 1.00 0.40 O ATOM 0 H SER B 75 17.588 -10.567 16.618 1.00 0.33 H new ATOM 0 HA SER B 75 14.917 -11.018 17.602 1.00 0.34 H new ATOM 0 HB2 SER B 75 15.709 -9.551 19.331 1.00 0.38 H new ATOM 0 HB3 SER B 75 17.171 -10.321 18.747 1.00 0.38 H new ATOM 0 HG SER B 75 16.708 -7.730 18.834 1.00 0.40 H new ATOM 2301 N LYS B 76 15.353 -8.295 15.842 1.00 0.33 N ATOM 2302 CA LYS B 76 14.597 -7.229 15.130 1.00 0.34 C ATOM 2303 C LYS B 76 13.898 -7.831 13.909 1.00 0.30 C ATOM 2304 O LYS B 76 12.759 -7.516 13.621 1.00 0.31 O ATOM 2305 CB LYS B 76 15.658 -6.210 14.706 1.00 0.39 C ATOM 2306 CG LYS B 76 15.259 -4.812 15.194 1.00 0.85 C ATOM 2307 CD LYS B 76 16.266 -4.326 16.239 1.00 0.83 C ATOM 2308 CE LYS B 76 17.428 -3.621 15.537 1.00 0.59 C ATOM 2309 NZ LYS B 76 17.835 -2.530 16.467 1.00 0.57 N ATOM 0 H LYS B 76 16.360 -8.291 15.679 1.00 0.33 H new ATOM 0 HA LYS B 76 13.826 -6.769 15.748 1.00 0.34 H new ATOM 0 HB2 LYS B 76 16.627 -6.487 15.120 1.00 0.39 H new ATOM 0 HB3 LYS B 76 15.763 -6.210 13.621 1.00 0.39 H new ATOM 0 HG2 LYS B 76 15.228 -4.118 14.354 1.00 0.85 H new ATOM 0 HG3 LYS B 76 14.258 -4.838 15.624 1.00 0.85 H new ATOM 0 HD2 LYS B 76 15.781 -3.644 16.937 1.00 0.83 H new ATOM 0 HD3 LYS B 76 16.637 -5.169 16.822 1.00 0.83 H new ATOM 0 HE2 LYS B 76 18.253 -4.309 15.351 1.00 0.59 H new ATOM 0 HE3 LYS B 76 17.121 -3.222 14.570 1.00 0.59 H new ATOM 0 HZ1 LYS B 76 18.629 -2.000 16.054 1.00 0.57 H new ATOM 0 HZ2 LYS B 76 17.032 -1.887 16.620 1.00 0.57 H new ATOM 0 HZ3 LYS B 76 18.128 -2.940 17.376 1.00 0.57 H new ATOM 2323 N ALA B 77 14.569 -8.708 13.200 1.00 0.31 N ATOM 2324 CA ALA B 77 13.941 -9.348 12.004 1.00 0.30 C ATOM 2325 C ALA B 77 12.736 -10.173 12.443 1.00 0.29 C ATOM 2326 O ALA B 77 11.645 -10.020 11.927 1.00 0.32 O ATOM 2327 CB ALA B 77 15.017 -10.261 11.412 1.00 0.33 C ATOM 0 H ALA B 77 15.524 -9.007 13.399 1.00 0.31 H new ATOM 0 HA ALA B 77 13.596 -8.613 11.277 1.00 0.30 H new ATOM 0 HB1 ALA B 77 14.622 -10.763 10.529 1.00 0.33 H new ATOM 0 HB2 ALA B 77 15.886 -9.665 11.133 1.00 0.33 H new ATOM 0 HB3 ALA B 77 15.310 -11.005 12.152 1.00 0.33 H new ATOM 2333 N ILE B 78 12.929 -11.043 13.402 1.00 0.29 N ATOM 2334 CA ILE B 78 11.798 -11.880 13.893 1.00 0.30 C ATOM 2335 C ILE B 78 10.682 -10.972 14.416 1.00 0.31 C ATOM 2336 O ILE B 78 9.517 -11.198 14.150 1.00 0.35 O ATOM 2337 CB ILE B 78 12.395 -12.746 15.005 1.00 0.33 C ATOM 2338 CG1 ILE B 78 13.467 -13.660 14.403 1.00 0.33 C ATOM 2339 CG2 ILE B 78 11.296 -13.600 15.639 1.00 0.41 C ATOM 2340 CD1 ILE B 78 14.545 -13.963 15.447 1.00 0.39 C ATOM 0 H ILE B 78 13.823 -11.208 13.865 1.00 0.29 H new ATOM 0 HA ILE B 78 11.355 -12.501 13.114 1.00 0.30 H new ATOM 0 HB ILE B 78 12.838 -12.107 15.769 1.00 0.33 H new ATOM 0 HG12 ILE B 78 13.012 -14.589 14.058 1.00 0.33 H new ATOM 0 HG13 ILE B 78 13.917 -13.182 13.532 1.00 0.33 H new ATOM 0 HG21 ILE B 78 11.724 -14.215 16.430 1.00 0.41 H new ATOM 0 HG22 ILE B 78 10.528 -12.951 16.060 1.00 0.41 H new ATOM 0 HG23 ILE B 78 10.851 -14.243 14.880 1.00 0.41 H new ATOM 0 HD11 ILE B 78 15.303 -14.613 15.010 1.00 0.39 H new ATOM 0 HD12 ILE B 78 15.010 -13.032 15.771 1.00 0.39 H new ATOM 0 HD13 ILE B 78 14.091 -14.460 16.305 1.00 0.39 H new ATOM 2352 N ASN B 79 11.030 -9.925 15.128 1.00 0.31 N ATOM 2353 CA ASN B 79 9.981 -8.986 15.626 1.00 0.33 C ATOM 2354 C ASN B 79 9.325 -8.319 14.419 1.00 0.32 C ATOM 2355 O ASN B 79 8.125 -8.118 14.380 1.00 0.34 O ATOM 2356 CB ASN B 79 10.716 -7.952 16.480 1.00 0.36 C ATOM 2357 CG ASN B 79 10.627 -8.352 17.954 1.00 0.40 C ATOM 2358 OD1 ASN B 79 9.547 -8.494 18.492 1.00 0.47 O ATOM 2359 ND2 ASN B 79 11.724 -8.540 18.635 1.00 0.44 N ATOM 0 H ASN B 79 11.988 -9.684 15.383 1.00 0.31 H new ATOM 0 HA ASN B 79 9.206 -9.484 16.208 1.00 0.33 H new ATOM 0 HB2 ASN B 79 11.760 -7.886 16.172 1.00 0.36 H new ATOM 0 HB3 ASN B 79 10.277 -6.965 16.333 1.00 0.36 H new ATOM 0 HD21 ASN B 79 11.674 -8.806 19.618 1.00 0.44 H new ATOM 0 HD22 ASN B 79 12.631 -8.421 18.184 1.00 0.44 H new ATOM 2366 N VAL B 80 10.114 -8.005 13.421 1.00 0.30 N ATOM 2367 CA VAL B 80 9.559 -7.380 12.185 1.00 0.30 C ATOM 2368 C VAL B 80 8.583 -8.366 11.543 1.00 0.29 C ATOM 2369 O VAL B 80 7.453 -8.030 11.242 1.00 0.34 O ATOM 2370 CB VAL B 80 10.785 -7.122 11.288 1.00 0.31 C ATOM 2371 CG1 VAL B 80 10.488 -7.500 9.832 1.00 0.36 C ATOM 2372 CG2 VAL B 80 11.157 -5.638 11.356 1.00 0.42 C ATOM 0 H VAL B 80 11.123 -8.156 13.411 1.00 0.30 H new ATOM 0 HA VAL B 80 9.012 -6.454 12.364 1.00 0.30 H new ATOM 0 HB VAL B 80 11.611 -7.736 11.646 1.00 0.31 H new ATOM 0 HG11 VAL B 80 11.369 -7.309 9.219 1.00 0.36 H new ATOM 0 HG12 VAL B 80 10.230 -8.558 9.776 1.00 0.36 H new ATOM 0 HG13 VAL B 80 9.654 -6.903 9.464 1.00 0.36 H new ATOM 0 HG21 VAL B 80 12.024 -5.451 10.723 1.00 0.42 H new ATOM 0 HG22 VAL B 80 10.317 -5.036 11.009 1.00 0.42 H new ATOM 0 HG23 VAL B 80 11.395 -5.369 12.385 1.00 0.42 H new ATOM 2382 N LEU B 81 9.016 -9.588 11.349 1.00 0.27 N ATOM 2383 CA LEU B 81 8.121 -10.618 10.745 1.00 0.28 C ATOM 2384 C LEU B 81 6.864 -10.756 11.603 1.00 0.29 C ATOM 2385 O LEU B 81 5.782 -11.002 11.104 1.00 0.30 O ATOM 2386 CB LEU B 81 8.935 -11.912 10.747 1.00 0.30 C ATOM 2387 CG LEU B 81 9.153 -12.372 9.305 1.00 0.36 C ATOM 2388 CD1 LEU B 81 10.464 -11.788 8.776 1.00 0.58 C ATOM 2389 CD2 LEU B 81 9.222 -13.897 9.266 1.00 0.55 C ATOM 0 H LEU B 81 9.953 -9.915 11.584 1.00 0.27 H new ATOM 0 HA LEU B 81 7.798 -10.361 9.736 1.00 0.28 H new ATOM 0 HB2 LEU B 81 9.894 -11.751 11.239 1.00 0.30 H new ATOM 0 HB3 LEU B 81 8.412 -12.684 11.312 1.00 0.30 H new ATOM 0 HG LEU B 81 8.326 -12.028 8.683 1.00 0.36 H new ATOM 0 HD11 LEU B 81 10.620 -12.116 7.748 1.00 0.58 H new ATOM 0 HD12 LEU B 81 10.416 -10.699 8.806 1.00 0.58 H new ATOM 0 HD13 LEU B 81 11.292 -12.132 9.396 1.00 0.58 H new ATOM 0 HD21 LEU B 81 9.377 -14.228 8.239 1.00 0.55 H new ATOM 0 HD22 LEU B 81 10.050 -14.240 9.887 1.00 0.55 H new ATOM 0 HD23 LEU B 81 8.288 -14.313 9.644 1.00 0.55 H new ATOM 2401 N ARG B 82 7.001 -10.567 12.891 1.00 0.30 N ATOM 2402 CA ARG B 82 5.816 -10.651 13.788 1.00 0.33 C ATOM 2403 C ARG B 82 4.906 -9.458 13.496 1.00 0.32 C ATOM 2404 O ARG B 82 3.696 -9.582 13.430 1.00 0.35 O ATOM 2405 CB ARG B 82 6.376 -10.572 15.209 1.00 0.36 C ATOM 2406 CG ARG B 82 5.603 -11.530 16.120 1.00 0.45 C ATOM 2407 CD ARG B 82 6.432 -12.797 16.358 1.00 0.52 C ATOM 2408 NE ARG B 82 6.386 -13.016 17.830 1.00 0.57 N ATOM 2409 CZ ARG B 82 7.053 -12.227 18.629 1.00 0.55 C ATOM 2410 NH1 ARG B 82 8.286 -11.905 18.349 1.00 0.63 N ATOM 2411 NH2 ARG B 82 6.485 -11.760 19.708 1.00 0.56 N ATOM 0 H ARG B 82 7.884 -10.358 13.357 1.00 0.30 H new ATOM 0 HA ARG B 82 5.235 -11.562 13.649 1.00 0.33 H new ATOM 0 HB2 ARG B 82 7.435 -10.830 15.208 1.00 0.36 H new ATOM 0 HB3 ARG B 82 6.297 -9.552 15.586 1.00 0.36 H new ATOM 0 HG2 ARG B 82 5.382 -11.045 17.070 1.00 0.45 H new ATOM 0 HG3 ARG B 82 4.647 -11.789 15.664 1.00 0.45 H new ATOM 0 HD2 ARG B 82 6.016 -13.648 15.819 1.00 0.52 H new ATOM 0 HD3 ARG B 82 7.457 -12.669 16.010 1.00 0.52 H new ATOM 0 HE ARG B 82 5.833 -13.782 18.214 1.00 0.57 H new ATOM 0 HH11 ARG B 82 8.729 -12.269 17.506 1.00 0.63 H new ATOM 0 HH12 ARG B 82 8.807 -11.289 18.973 1.00 0.63 H new ATOM 0 HH21 ARG B 82 5.521 -12.011 19.926 1.00 0.56 H new ATOM 0 HH22 ARG B 82 7.005 -11.144 20.332 1.00 0.56 H new ATOM 2425 N GLY B 83 5.495 -8.304 13.296 1.00 0.32 N ATOM 2426 CA GLY B 83 4.693 -7.090 12.979 1.00 0.34 C ATOM 2427 C GLY B 83 4.010 -7.305 11.631 1.00 0.30 C ATOM 2428 O GLY B 83 2.874 -6.916 11.430 1.00 0.30 O ATOM 0 H GLY B 83 6.503 -8.154 13.340 1.00 0.32 H new ATOM 0 HA2 GLY B 83 3.950 -6.912 13.757 1.00 0.34 H new ATOM 0 HA3 GLY B 83 5.335 -6.210 12.943 1.00 0.34 H new ATOM 2432 N PHE B 84 4.691 -7.948 10.712 1.00 0.30 N ATOM 2433 CA PHE B 84 4.080 -8.220 9.380 1.00 0.29 C ATOM 2434 C PHE B 84 2.845 -9.097 9.581 1.00 0.28 C ATOM 2435 O PHE B 84 1.830 -8.919 8.935 1.00 0.30 O ATOM 2436 CB PHE B 84 5.152 -8.968 8.580 1.00 0.31 C ATOM 2437 CG PHE B 84 6.097 -7.991 7.929 1.00 0.27 C ATOM 2438 CD1 PHE B 84 5.600 -6.880 7.240 1.00 0.30 C ATOM 2439 CD2 PHE B 84 7.477 -8.207 8.005 1.00 0.32 C ATOM 2440 CE1 PHE B 84 6.484 -5.986 6.631 1.00 0.33 C ATOM 2441 CE2 PHE B 84 8.358 -7.316 7.394 1.00 0.34 C ATOM 2442 CZ PHE B 84 7.862 -6.207 6.709 1.00 0.33 C ATOM 0 H PHE B 84 5.643 -8.295 10.831 1.00 0.30 H new ATOM 0 HA PHE B 84 3.769 -7.313 8.861 1.00 0.29 H new ATOM 0 HB2 PHE B 84 5.706 -9.636 9.239 1.00 0.31 H new ATOM 0 HB3 PHE B 84 4.680 -9.590 7.819 1.00 0.31 H new ATOM 0 HD1 PHE B 84 4.535 -6.714 7.179 1.00 0.30 H new ATOM 0 HD2 PHE B 84 7.860 -9.065 8.538 1.00 0.32 H new ATOM 0 HE1 PHE B 84 6.103 -5.126 6.101 1.00 0.33 H new ATOM 0 HE2 PHE B 84 9.423 -7.484 7.451 1.00 0.34 H new ATOM 0 HZ PHE B 84 8.545 -5.516 6.237 1.00 0.33 H new ATOM 2452 N ARG B 85 2.926 -10.030 10.499 1.00 0.28 N ATOM 2453 CA ARG B 85 1.758 -10.913 10.782 1.00 0.30 C ATOM 2454 C ARG B 85 0.605 -10.053 11.296 1.00 0.28 C ATOM 2455 O ARG B 85 -0.542 -10.253 10.942 1.00 0.32 O ATOM 2456 CB ARG B 85 2.238 -11.881 11.865 1.00 0.35 C ATOM 2457 CG ARG B 85 1.478 -13.205 11.746 1.00 0.39 C ATOM 2458 CD ARG B 85 0.486 -13.335 12.906 1.00 0.48 C ATOM 2459 NE ARG B 85 1.330 -13.593 14.105 1.00 0.44 N ATOM 2460 CZ ARG B 85 1.488 -14.813 14.541 1.00 0.48 C ATOM 2461 NH1 ARG B 85 2.351 -15.606 13.966 1.00 0.52 N ATOM 2462 NH2 ARG B 85 0.783 -15.240 15.553 1.00 0.64 N ATOM 0 H ARG B 85 3.754 -10.216 11.064 1.00 0.28 H new ATOM 0 HA ARG B 85 1.406 -11.451 9.902 1.00 0.30 H new ATOM 0 HB2 ARG B 85 3.309 -12.055 11.762 1.00 0.35 H new ATOM 0 HB3 ARG B 85 2.079 -11.446 12.852 1.00 0.35 H new ATOM 0 HG2 ARG B 85 0.948 -13.247 10.795 1.00 0.39 H new ATOM 0 HG3 ARG B 85 2.178 -14.040 11.758 1.00 0.39 H new ATOM 0 HD2 ARG B 85 -0.103 -12.426 13.026 1.00 0.48 H new ATOM 0 HD3 ARG B 85 -0.217 -14.150 12.735 1.00 0.48 H new ATOM 0 HE ARG B 85 1.785 -12.817 14.586 1.00 0.44 H new ATOM 0 HH11 ARG B 85 2.902 -15.272 13.175 1.00 0.52 H new ATOM 0 HH12 ARG B 85 2.474 -16.559 14.307 1.00 0.52 H new ATOM 0 HH21 ARG B 85 0.109 -14.620 16.003 1.00 0.64 H new ATOM 0 HH22 ARG B 85 0.906 -16.193 15.894 1.00 0.64 H new ATOM 2476 N LYS B 86 0.912 -9.080 12.117 1.00 0.29 N ATOM 2477 CA LYS B 86 -0.152 -8.179 12.645 1.00 0.30 C ATOM 2478 C LYS B 86 -0.607 -7.238 11.529 1.00 0.27 C ATOM 2479 O LYS B 86 -1.755 -6.840 11.467 1.00 0.30 O ATOM 2480 CB LYS B 86 0.510 -7.395 13.782 1.00 0.34 C ATOM 2481 CG LYS B 86 -0.429 -7.352 14.990 1.00 0.41 C ATOM 2482 CD LYS B 86 -0.503 -8.739 15.635 1.00 0.47 C ATOM 2483 CE LYS B 86 -1.802 -9.433 15.214 1.00 0.48 C ATOM 2484 NZ LYS B 86 -2.222 -10.220 16.407 1.00 0.54 N ATOM 0 H LYS B 86 1.856 -8.872 12.444 1.00 0.29 H new ATOM 0 HA LYS B 86 -1.030 -8.720 12.998 1.00 0.30 H new ATOM 0 HB2 LYS B 86 1.454 -7.864 14.059 1.00 0.34 H new ATOM 0 HB3 LYS B 86 0.742 -6.382 13.452 1.00 0.34 H new ATOM 0 HG2 LYS B 86 -0.071 -6.621 15.715 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -1.423 -7.031 14.679 1.00 0.41 H new ATOM 0 HD2 LYS B 86 0.356 -9.338 15.332 1.00 0.47 H new ATOM 0 HD3 LYS B 86 -0.462 -8.649 16.721 1.00 0.47 H new ATOM 0 HE2 LYS B 86 -2.564 -8.707 14.932 1.00 0.48 H new ATOM 0 HE3 LYS B 86 -1.643 -10.079 14.351 1.00 0.48 H new ATOM 0 HZ1 LYS B 86 -3.107 -10.725 16.196 1.00 0.54 H new ATOM 0 HZ2 LYS B 86 -1.480 -10.908 16.648 1.00 0.54 H new ATOM 0 HZ3 LYS B 86 -2.373 -9.578 17.211 1.00 0.54 H new ATOM 2498 N GLU B 87 0.291 -6.897 10.638 1.00 0.26 N ATOM 2499 CA GLU B 87 -0.073 -5.997 9.506 1.00 0.26 C ATOM 2500 C GLU B 87 -0.989 -6.746 8.537 1.00 0.27 C ATOM 2501 O GLU B 87 -1.904 -6.179 7.968 1.00 0.31 O ATOM 2502 CB GLU B 87 1.255 -5.645 8.830 1.00 0.25 C ATOM 2503 CG GLU B 87 2.078 -4.738 9.750 1.00 0.27 C ATOM 2504 CD GLU B 87 2.023 -3.298 9.236 1.00 0.27 C ATOM 2505 OE1 GLU B 87 2.649 -3.027 8.224 1.00 0.36 O ATOM 2506 OE2 GLU B 87 1.356 -2.491 9.862 1.00 0.34 O ATOM 0 H GLU B 87 1.263 -7.206 10.648 1.00 0.26 H new ATOM 0 HA GLU B 87 -0.604 -5.103 9.833 1.00 0.26 H new ATOM 0 HB2 GLU B 87 1.813 -6.554 8.606 1.00 0.25 H new ATOM 0 HB3 GLU B 87 1.069 -5.143 7.880 1.00 0.25 H new ATOM 0 HG2 GLU B 87 1.690 -4.787 10.767 1.00 0.27 H new ATOM 0 HG3 GLU B 87 3.112 -5.082 9.787 1.00 0.27 H new ATOM 2513 N ILE B 88 -0.752 -8.023 8.355 1.00 0.26 N ATOM 2514 CA ILE B 88 -1.612 -8.822 7.435 1.00 0.27 C ATOM 2515 C ILE B 88 -2.990 -9.025 8.081 1.00 0.28 C ATOM 2516 O ILE B 88 -4.013 -8.985 7.417 1.00 0.29 O ATOM 2517 CB ILE B 88 -0.843 -10.144 7.219 1.00 0.30 C ATOM 2518 CG1 ILE B 88 -0.995 -10.582 5.757 1.00 0.35 C ATOM 2519 CG2 ILE B 88 -1.358 -11.261 8.138 1.00 0.33 C ATOM 2520 CD1 ILE B 88 0.333 -10.383 5.022 1.00 0.77 C ATOM 0 H ILE B 88 0.001 -8.544 8.805 1.00 0.26 H new ATOM 0 HA ILE B 88 -1.801 -8.339 6.476 1.00 0.27 H new ATOM 0 HB ILE B 88 0.205 -9.967 7.461 1.00 0.30 H new ATOM 0 HG12 ILE B 88 -1.295 -11.629 5.710 1.00 0.35 H new ATOM 0 HG13 ILE B 88 -1.781 -10.002 5.273 1.00 0.35 H new ATOM 0 HG21 ILE B 88 -0.791 -12.174 7.955 1.00 0.33 H new ATOM 0 HG22 ILE B 88 -1.236 -10.961 9.179 1.00 0.33 H new ATOM 0 HG23 ILE B 88 -2.413 -11.442 7.934 1.00 0.33 H new ATOM 0 HD11 ILE B 88 0.224 -10.695 3.983 1.00 0.77 H new ATOM 0 HD12 ILE B 88 0.614 -9.331 5.058 1.00 0.77 H new ATOM 0 HD13 ILE B 88 1.107 -10.982 5.501 1.00 0.77 H new ATOM 2532 N GLY B 89 -3.022 -9.202 9.381 1.00 0.29 N ATOM 2533 CA GLY B 89 -4.327 -9.368 10.082 1.00 0.31 C ATOM 2534 C GLY B 89 -5.096 -8.059 9.946 1.00 0.29 C ATOM 2535 O GLY B 89 -6.307 -8.039 9.820 1.00 0.32 O ATOM 0 H GLY B 89 -2.199 -9.238 9.983 1.00 0.29 H new ATOM 0 HA2 GLY B 89 -4.893 -10.191 9.646 1.00 0.31 H new ATOM 0 HA3 GLY B 89 -4.169 -9.611 11.133 1.00 0.31 H new ATOM 2539 N ARG B 90 -4.384 -6.962 9.945 1.00 0.28 N ATOM 2540 CA ARG B 90 -5.045 -5.641 9.788 1.00 0.29 C ATOM 2541 C ARG B 90 -5.593 -5.527 8.369 1.00 0.28 C ATOM 2542 O ARG B 90 -6.655 -4.976 8.151 1.00 0.30 O ATOM 2543 CB ARG B 90 -3.944 -4.607 10.017 1.00 0.32 C ATOM 2544 CG ARG B 90 -3.799 -4.332 11.513 1.00 0.38 C ATOM 2545 CD ARG B 90 -2.666 -3.329 11.732 1.00 0.59 C ATOM 2546 NE ARG B 90 -2.884 -2.794 13.105 1.00 0.84 N ATOM 2547 CZ ARG B 90 -1.920 -2.167 13.720 1.00 1.24 C ATOM 2548 NH1 ARG B 90 -0.746 -2.726 13.834 1.00 1.32 N ATOM 2549 NH2 ARG B 90 -2.129 -0.981 14.221 1.00 1.67 N ATOM 0 H ARG B 90 -3.370 -6.929 10.047 1.00 0.28 H new ATOM 0 HA ARG B 90 -5.874 -5.499 10.481 1.00 0.29 H new ATOM 0 HB2 ARG B 90 -3.000 -4.971 9.611 1.00 0.32 H new ATOM 0 HB3 ARG B 90 -4.183 -3.684 9.489 1.00 0.32 H new ATOM 0 HG2 ARG B 90 -4.732 -3.938 11.915 1.00 0.38 H new ATOM 0 HG3 ARG B 90 -3.589 -5.259 12.047 1.00 0.38 H new ATOM 0 HD2 ARG B 90 -1.691 -3.810 11.646 1.00 0.59 H new ATOM 0 HD3 ARG B 90 -2.695 -2.532 10.989 1.00 0.59 H new ATOM 0 HE ARG B 90 -3.787 -2.918 13.564 1.00 0.84 H new ATOM 0 HH11 ARG B 90 -0.582 -3.653 13.442 1.00 1.32 H new ATOM 0 HH12 ARG B 90 0.008 -2.235 14.315 1.00 1.32 H new ATOM 0 HH21 ARG B 90 -3.046 -0.544 14.132 1.00 1.67 H new ATOM 0 HH22 ARG B 90 -1.375 -0.490 14.702 1.00 1.67 H new ATOM 2563 N MET B 91 -4.885 -6.072 7.403 1.00 0.29 N ATOM 2564 CA MET B 91 -5.372 -6.014 5.994 1.00 0.30 C ATOM 2565 C MET B 91 -6.727 -6.702 5.933 1.00 0.28 C ATOM 2566 O MET B 91 -7.637 -6.256 5.259 1.00 0.30 O ATOM 2567 CB MET B 91 -4.332 -6.770 5.162 1.00 0.35 C ATOM 2568 CG MET B 91 -4.109 -6.037 3.837 1.00 0.53 C ATOM 2569 SD MET B 91 -2.973 -6.991 2.801 1.00 0.79 S ATOM 2570 CE MET B 91 -1.462 -6.630 3.729 1.00 0.95 C ATOM 0 H MET B 91 -3.994 -6.552 7.534 1.00 0.29 H new ATOM 0 HA MET B 91 -5.490 -4.997 5.621 1.00 0.30 H new ATOM 0 HB2 MET B 91 -3.394 -6.843 5.712 1.00 0.35 H new ATOM 0 HB3 MET B 91 -4.671 -7.789 4.974 1.00 0.35 H new ATOM 0 HG2 MET B 91 -5.059 -5.899 3.321 1.00 0.53 H new ATOM 0 HG3 MET B 91 -3.701 -5.044 4.023 1.00 0.53 H new ATOM 0 HE1 MET B 91 -0.728 -6.174 3.065 1.00 0.95 H new ATOM 0 HE2 MET B 91 -1.691 -5.943 4.544 1.00 0.95 H new ATOM 0 HE3 MET B 91 -1.056 -7.555 4.138 1.00 0.95 H new ATOM 2580 N LEU B 92 -6.869 -7.773 6.668 1.00 0.28 N ATOM 2581 CA LEU B 92 -8.170 -8.491 6.697 1.00 0.28 C ATOM 2582 C LEU B 92 -9.222 -7.581 7.304 1.00 0.28 C ATOM 2583 O LEU B 92 -10.319 -7.466 6.788 1.00 0.32 O ATOM 2584 CB LEU B 92 -7.922 -9.718 7.548 1.00 0.33 C ATOM 2585 CG LEU B 92 -6.922 -10.586 6.801 1.00 0.36 C ATOM 2586 CD1 LEU B 92 -6.074 -11.381 7.798 1.00 0.43 C ATOM 2587 CD2 LEU B 92 -7.672 -11.549 5.875 1.00 0.41 C ATOM 0 H LEU B 92 -6.137 -8.180 7.250 1.00 0.28 H new ATOM 0 HA LEU B 92 -8.533 -8.776 5.709 1.00 0.28 H new ATOM 0 HB2 LEU B 92 -7.532 -9.436 8.526 1.00 0.33 H new ATOM 0 HB3 LEU B 92 -8.851 -10.262 7.720 1.00 0.33 H new ATOM 0 HG LEU B 92 -6.267 -9.949 6.207 1.00 0.36 H new ATOM 0 HD11 LEU B 92 -5.360 -12.001 7.255 1.00 0.43 H new ATOM 0 HD12 LEU B 92 -5.536 -10.692 8.449 1.00 0.43 H new ATOM 0 HD13 LEU B 92 -6.722 -12.017 8.401 1.00 0.43 H new ATOM 0 HD21 LEU B 92 -6.955 -12.171 5.339 1.00 0.41 H new ATOM 0 HD22 LEU B 92 -8.332 -12.183 6.467 1.00 0.41 H new ATOM 0 HD23 LEU B 92 -8.263 -10.979 5.159 1.00 0.41 H new ATOM 2599 N ASN B 93 -8.884 -6.892 8.370 1.00 0.29 N ATOM 2600 CA ASN B 93 -9.861 -5.940 8.970 1.00 0.32 C ATOM 2601 C ASN B 93 -10.295 -4.964 7.873 1.00 0.30 C ATOM 2602 O ASN B 93 -11.381 -4.417 7.906 1.00 0.36 O ATOM 2603 CB ASN B 93 -9.106 -5.212 10.089 1.00 0.37 C ATOM 2604 CG ASN B 93 -9.241 -5.960 11.427 1.00 0.56 C ATOM 2605 OD1 ASN B 93 -9.987 -7.033 11.523 1.00 0.87 O flip ATOM 2606 ND2 ASN B 93 -8.649 -5.558 12.409 1.00 0.89 N flip ATOM 0 H ASN B 93 -7.982 -6.950 8.843 1.00 0.29 H new ATOM 0 HA ASN B 93 -10.750 -6.427 9.371 1.00 0.32 H new ATOM 0 HB2 ASN B 93 -8.053 -5.123 9.823 1.00 0.37 H new ATOM 0 HB3 ASN B 93 -9.494 -4.199 10.194 1.00 0.37 H new ATOM 0 HD21 ASN B 93 -8.065 -4.724 12.347 1.00 0.89 H new ATOM 0 HD22 ASN B 93 -8.736 -6.055 13.296 1.00 0.89 H new ATOM 2613 N ILE B 94 -9.449 -4.772 6.879 1.00 0.29 N ATOM 2614 CA ILE B 94 -9.816 -3.862 5.753 1.00 0.31 C ATOM 2615 C ILE B 94 -10.658 -4.622 4.726 1.00 0.31 C ATOM 2616 O ILE B 94 -11.613 -4.086 4.194 1.00 0.35 O ATOM 2617 CB ILE B 94 -8.512 -3.383 5.088 1.00 0.32 C ATOM 2618 CG1 ILE B 94 -7.396 -3.233 6.130 1.00 0.36 C ATOM 2619 CG2 ILE B 94 -8.771 -2.035 4.401 1.00 0.38 C ATOM 2620 CD1 ILE B 94 -6.214 -2.455 5.540 1.00 0.49 C ATOM 0 H ILE B 94 -8.529 -5.206 6.805 1.00 0.29 H new ATOM 0 HA ILE B 94 -10.393 -3.015 6.125 1.00 0.31 H new ATOM 0 HB ILE B 94 -8.192 -4.121 4.352 1.00 0.32 H new ATOM 0 HG12 ILE B 94 -7.778 -2.714 7.009 1.00 0.36 H new ATOM 0 HG13 ILE B 94 -7.063 -4.217 6.460 1.00 0.36 H new ATOM 0 HG21 ILE B 94 -7.854 -1.686 3.927 1.00 0.38 H new ATOM 0 HG22 ILE B 94 -9.547 -2.155 3.645 1.00 0.38 H new ATOM 0 HG23 ILE B 94 -9.096 -1.305 5.143 1.00 0.38 H new ATOM 0 HD11 ILE B 94 -5.431 -2.357 6.292 1.00 0.49 H new ATOM 0 HD12 ILE B 94 -5.822 -2.990 4.675 1.00 0.49 H new ATOM 0 HD13 ILE B 94 -6.548 -1.464 5.233 1.00 0.49 H new ATOM 2632 N LEU B 95 -10.316 -5.862 4.422 1.00 0.30 N ATOM 2633 CA LEU B 95 -11.129 -6.606 3.403 1.00 0.32 C ATOM 2634 C LEU B 95 -12.270 -7.387 4.066 1.00 0.34 C ATOM 2635 O LEU B 95 -12.907 -8.212 3.439 1.00 0.41 O ATOM 2636 CB LEU B 95 -10.161 -7.543 2.669 1.00 0.32 C ATOM 2637 CG LEU B 95 -9.421 -8.435 3.663 1.00 0.30 C ATOM 2638 CD1 LEU B 95 -9.922 -9.874 3.541 1.00 0.36 C ATOM 2639 CD2 LEU B 95 -7.922 -8.395 3.354 1.00 0.33 C ATOM 0 H LEU B 95 -9.532 -6.375 4.825 1.00 0.30 H new ATOM 0 HA LEU B 95 -11.602 -5.916 2.704 1.00 0.32 H new ATOM 0 HB2 LEU B 95 -10.711 -8.159 1.958 1.00 0.32 H new ATOM 0 HB3 LEU B 95 -9.444 -6.957 2.094 1.00 0.32 H new ATOM 0 HG LEU B 95 -9.602 -8.075 4.676 1.00 0.30 H new ATOM 0 HD11 LEU B 95 -9.390 -10.506 4.253 1.00 0.36 H new ATOM 0 HD12 LEU B 95 -10.990 -9.907 3.754 1.00 0.36 H new ATOM 0 HD13 LEU B 95 -9.743 -10.237 2.529 1.00 0.36 H new ATOM 0 HD21 LEU B 95 -7.388 -9.030 4.061 1.00 0.33 H new ATOM 0 HD22 LEU B 95 -7.750 -8.756 2.340 1.00 0.33 H new ATOM 0 HD23 LEU B 95 -7.560 -7.371 3.441 1.00 0.33 H new ATOM 2651 N ASN B 96 -12.549 -7.113 5.318 1.00 0.32 N ATOM 2652 CA ASN B 96 -13.672 -7.814 6.014 1.00 0.37 C ATOM 2653 C ASN B 96 -14.767 -6.805 6.385 1.00 0.41 C ATOM 2654 O ASN B 96 -15.793 -7.164 6.931 1.00 0.50 O ATOM 2655 CB ASN B 96 -13.056 -8.426 7.272 1.00 0.39 C ATOM 2656 CG ASN B 96 -12.323 -9.717 6.902 1.00 0.46 C ATOM 2657 OD1 ASN B 96 -11.160 -9.966 7.435 1.00 0.63 O flip ATOM 2658 ND2 ASN B 96 -12.815 -10.507 6.121 1.00 0.54 N flip ATOM 0 H ASN B 96 -12.046 -6.433 5.888 1.00 0.32 H new ATOM 0 HA ASN B 96 -14.134 -8.575 5.385 1.00 0.37 H new ATOM 0 HB2 ASN B 96 -12.364 -7.721 7.731 1.00 0.39 H new ATOM 0 HB3 ASN B 96 -13.834 -8.634 8.007 1.00 0.39 H new ATOM 0 HD21 ASN B 96 -13.725 -10.312 5.704 1.00 0.54 H new ATOM 0 HD22 ASN B 96 -12.318 -11.365 5.882 1.00 0.54 H new